CAS: 17013-01-3 Molecular Formula: C₄H₂Na₂O₄ Molecular Weight (g/mol): 160.04 MDL Number: MFCD00064567 InChI Key: VXXVUHAXJHEYFH-SEPHDYHBSA-N Synonym: sodium monofumarate, di-sodium fumarate, disodium butenedioate, fumaran sodny, fumaran sodny czech, fumaric acid disodium salt, fumaric acid, disodium salt, sodium fumarate dibasic, sodium fumarate, disodium fumarate PubChem CID: 87110070 IUPAC Name: (E)-but-2-enedioic acid;sodium SMILES: C(=CC(=O)O)C(=O)O.[Na].[Na]

CAS: 128-53-0 Molecular Formula: C₆H₇NO₂ Molecular Weight (g/mol): 125.13 InChI Key: HDFGOPSGAURCEO-UHFFFAOYSA-N Synonym: maleic acid-n-ethylimide, unii-o3c74acm9v, usaf b-121, nem, maleic acid n-ethylimide, 1h-pyrrole-2,5-dione, 1-ethyl, maleimide, n-ethyl, 1-ethyl-1h-pyrrole-2,5-dione, ethylmaleimide, n-ethylmaleimide PubChem CID: 4362 ChEBI: CHEBI:44485 IUPAC Name: 1-ethylpyrrole-2,5-dione SMILES: CCN1C(=O)C=CC1=O

CAS: 33864-99-2 Molecular Formula: C56H68Cl4CuN16S4 Molecular Weight (g/mol): 1298.86 MDL Number: MFCD00010720 InChI Key: XRWQTDIELZDCPS-UHFFFAOYSA-J Synonym: Ingrain Blue 1 PubChem CID: 17749099 IUPAC Name: (9Z,18Z,26Z,35Z)-4,14,22,32-tetrakis({[(dimethylamino)(dimethyliminiumyl)methyl]sulfanyl}methyl)-9,18,27,36,37,39,40,41-octaaza-38-cupradecacyclo[17.17.3.1¹⁰,¹⁷.1²⁸,³⁵.0²,⁷.0⁸,³⁷.0¹¹,¹⁶.0²⁰,²⁵.0²⁶,³⁹.0²⁹,³⁴]hentetraconta-1,3,5,7,9,11(16),12,14,17(41),18,20,22,24,26,28(40),29(34),30,32,35-nonadecaene-38,38-bis(ylium) tetrachloride SMILES: [Cl-].[Cl-].[Cl-].[Cl-].CN(C)C(SCC1=CC2=C(C=C1)\C1=N\C3=C4C=CC(CSC(N(C)C)=[N+](C)C)=CC4=C4\N=C5/N=C(/N=C6\N([Cu++]N34)\C(=N/C2=N1)C1=CC(CSC(N(C)C)=[N+](C)C)=CC=C61)C1=C5C=C(CSC(N(C)C)=[N+](C)C)C=C1)=[N+](C)C

CAS: 100-42-5 Molecular Formula: C8H8 Molecular Weight (g/mol): 104.15 MDL Number: MFCD00008612,MFCD00084450 InChI Key: PPBRXRYQALVLMV-UHFFFAOYSA-N Synonym: styrolene, phenethylene, monomer, phenylethene, cinnamene, benzene, ethenyl, styrol, vinylbenzene, phenylethylene, ethenylbenzene PubChem CID: 7501 ChEBI: CHEBI:27452 IUPAC Name: styrene SMILES: C=CC1=CC=CC=C1

CAS: 62758-13-8 Molecular Formula: C12H6NNaO4 Molecular Weight (g/mol): 251.173 MDL Number: MFCD00005036 InChI Key: IVGPGQSSDLDOLH-UHFFFAOYSA-M Synonym: 7-Hydroxy-3H-phenoxazin-3-one 10-oxide, sodium salt PubChem CID: 112939 IUPAC Name: sodium;10-oxido-7-oxophenoxazin-10-ium-3-olate SMILES: C1=CC2=C(C=C1[O-])OC3=CC(=O)C=CC3=[N+]2[O-].[Na+]

CAS: 79-10-7 Molecular Formula: C₃H₄O₂ Molecular Weight (g/mol): 72.06 MDL Number: MFCD00004367 InChI Key: NIXOWILDQLNWCW-UHFFFAOYSA-N Synonym: carbomer, propenoate, polyacrylate, ethylenecarboxylic acid, propene acid, acroleic acid, vinylformic acid, propenoic acid, 2-propenoic acid, acrylic acid PubChem CID: 6581 ChEBI: CHEBI:18308 IUPAC Name: prop-2-enoic acid SMILES: C=CC(=O)O

CAS: 79-06-1 Molecular Formula: C3H5NO Molecular Weight (g/mol): 71.08 MDL Number: MFCD00008032 InChI Key: HRPVXLWXLXDGHG-UHFFFAOYSA-N Synonym: 2-Propenamide, Ethylenecarboxamide PubChem CID: 6579 ChEBI: CHEBI:28619 IUPAC Name: prop-2-enamide SMILES: NC(=O)C=C

CAS: 635-65-4 Molecular Formula: C33H36N4O6 Molecular Weight (g/mol): 584.67 MDL Number: MFCD00005499 InChI Key: BPYKTIZUTYGOLE-IFADSCNNSA-N Synonym: biline-8,12-dipropionic acid, 1,10,19,22,23,24-hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-3,18-divinyl, rfm9x3lj49, 21h-biline-8,12-dipropanoic acid, 2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo, bilirubin ixalpha, unii-rfm9x3lj49, principal bile pigment, bilirubin ix-alpha, hemetoidin, hematoidin, bilirubin PubChem CID: 5280352 ChEBI: CHEBI:16990 IUPAC Name: 3-[2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid SMILES: CC1=C(C=C)\C(NC1=O)=C\C1=C(C)C(CCC(O)=O)=C(CC2=C(CCC(O)=O)C(C)=C(N2)\C=C2/NC(=O)C(C=C)=C2C)N1

CAS: 62758-13-8 Molecular Formula: C12H6NNaO4 Molecular Weight (g/mol): 251.173 MDL Number: MFCD00005036 InChI Key: IVGPGQSSDLDOLH-UHFFFAOYSA-M Synonym: 7-Hydroxy-3H-phenoxazin-3-one 10-oxide, sodium salt PubChem CID: 112939 IUPAC Name: sodium;10-oxido-7-oxophenoxazin-10-ium-3-olate SMILES: C1=CC2=C(C=C1[O-])OC3=CC(=O)C=CC3=[N+]2[O-].[Na+]

CAS: 96-33-3 Molecular Formula: C₄H₆O₂ Molecular Weight (g/mol): 86.09 MDL Number: MFCD00008627 InChI Key: BAPJBEWLBFYGME-UHFFFAOYSA-N Synonym: methoxycarbonylethylene, methyl-acrylat, metilacrilato, methylacrylaat, methyl propenoate, methyl 2-propenoate, 2-propenoic acid, methyl ester, acrylic acid methyl ester, methylacrylate, methyl acrylate PubChem CID: 7294 ChEBI: CHEBI:82482 IUPAC Name: methyl prop-2-enoate SMILES: COC(=O)C=C

CAS: 458-37-7 Molecular Formula: C21H20O6 Molecular Weight (g/mol): 368.39 MDL Number: MFCD00008365 InChI Key: ZIUSSTSXXLLKKK-KOBPDPAPSA-N Synonym: curcumin i, halad, gelbwurz, kacha haldi, curcuma, turmeric, turmeric yellow, natural yellow 3, diferuloylmethane, curcumin PubChem CID: 969516 ChEBI: CHEBI:3962 SMILES: COC1=CC(\C=C\C(\O)=C\C(=O)\C=C\C2=CC=C(O)C(OC)=C2)=CC=C1O

CAS: 302-79-4 Molecular Formula: C20H28O2 Molecular Weight (g/mol): 300.44 MDL Number: MFCD00001551 InChI Key: SHGAZHPCJJPHSC-YCNIQYBTSA-N Synonym: atra, vesanoid, retin-a, airol, renova, trans-retinoic acid, all-trans-retinoic acid, vitamin a acid, tretinoin, retinoic acid PubChem CID: 444795 ChEBI: CHEBI:15367 IUPAC Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid SMILES: C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O

CAS: 123333-64-2 Molecular Formula: C19H11Cl2O5S Molecular Weight (g/mol): 422.25 MDL Number: MFCD00151199 InChI Key: QXTPRQZMDKBTAI-UNOMPAQXSA-M Synonym: 3', 3''-Dichlorophenolsulfonephthalein, sodium salt PubChem CID: 131846007 SMILES: OC1=CC=C(C=C1Cl)C(=C1/C=CC(=O)C(Cl)=C1)\C1=CC=CC=C1S([O-])(=O)=O

CAS: 14930-96-2 Molecular Formula: C29H37NO5 Molecular Weight (g/mol): 479.62 MDL Number: MFCD00077704 InChI Key: GBOGMAARMMDZGR-UHFFFAOYNA-N Synonym: cytochalasin b from helminthosporium dematioideum, cytochalasin b PubChem CID: 44634701 IUPAC Name: 16-benzyl-5,13-dihydroxy-9,15-dimethyl-14-methylidene-2H,5H,6H,7H,8H,9H,10H,12aH,13H,14H,15H,15aH,16H,17H,18H-oxacyclotetradeca[3,2-e]isoindole-2,18-dione SMILES: CC1C2C(CC3=CC=CC=C3)NC(=O)C22OC(=O)C=CC(O)CCCC(C)CC=CC2C(O)C1=C

CAS: 870-63-3 Molecular Formula: C₅H₉Br Molecular Weight (g/mol): 149.04 MDL Number: MFCD00000242 InChI Key: LOYZVRIHVZEDMW-UHFFFAOYSA-N Synonym: 3,3-dimethylallylbromide, 3-methylcrotyl bromide, .gamma.,.gamma.-dimethylallyl bromide, 1-bromo-3-methyl-but-2-ene, dimethylallyl bromide, 2-butene, 1-bromo-3-methyl, 3-methyl-2-butenyl bromide, prenyl bromide, 3,3-dimethylallyl bromide, 1-bromo-3-methyl-2-butene PubChem CID: 70092 IUPAC Name: 1-bromo-3-methylbut-2-ene SMILES: CC(=CCBr)C

CAS: 111-02-4 Molecular Formula: C30H50 Molecular Weight (g/mol): 410.73 MDL Number: MFCD00008912 InChI Key: YYGNTYWPHWGJRM-AAJYLUCBSA-N Synonym: spinacen, 7qwm220fjh, unii-7qwm220fjh, e,e,e,e-squalene, 2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene, all-trans-squalene, supraene, spinacene, trans-squalene, squalene PubChem CID: 638072 ChEBI: CHEBI:15440 IUPAC Name: (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene SMILES: CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C

CAS: 5006-66-6 Molecular Formula: C₆H₅NO₃ Molecular Weight (g/mol): 139.11 MDL Number: MFCD00006277 InChI Key: BLHCMGRVFXRYRN-UHFFFAOYSA-N Synonym: 1,6-dihydro-6-oxo-3-pyridinecarboxylic acid, 6-hydroxynicotinate, 6-hydroxy-nicotinic acid, 2-pyridone-5-carboxylic acid, 2-hydroxypyridine-5-carboxylic acid, 3-pyridinecarboxylic acid, 1,6-dihydro-6-oxo, 6-hydroxy nicotinic acid, 6-hydroxypyridine-3-carboxylic acid, 2-hydroxy-5-pyridinecarboxylic acid, 6-hydroxynicotinic acid PubChem CID: 72924 ChEBI: CHEBI:16168 IUPAC Name: 6-oxo-1H-pyridine-3-carboxylic acid SMILES: C1=CC(=O)NC=C1C(=O)O

CAS: 632-99-5 Molecular Formula: C20H20ClN3 Molecular Weight (g/mol): 337.85 MDL Number: MFCD00012569 InChI Key: AXDJCCTWPBKUKL-UHFFFAOYSA-N Synonym: Rosaniline chloride, C.I. 42510, Basic Violet 14, hydrochloride PubChem CID: 12447 IUPAC Name: 4-[(4-aminophenyl)-(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]aniline;hydrochloride SMILES: [H+].[Cl-].CC1=CC(C=CC1=N)=C(C1=CC=C(N)C=C1)C1=CC=C(N)C=C1

CAS: 86-73-7 Molecular Formula: C13H10 Molecular Weight (g/mol): 166.22 MDL Number: MFCD00001111 InChI Key: NIHNNTQXNPWCJQ-UHFFFAOYSA-N Synonym: flourene, fluorenyl radical, fluoren, methane, diphenylene, o-biphenylmethane, 2,2'-methylenebiphenyl, 2,3-benzindene, o-biphenylenemethane, diphenylenemethane, fluorene PubChem CID: 6853 ChEBI: CHEBI:28266 IUPAC Name: 9H-fluorene SMILES: C1C2=CC=CC=C2C2=CC=CC=C12

CAS: 77-06-5 Molecular Formula: C19H22O6 Molecular Weight (g/mol): 346.38 MDL Number: MFCD00079329 InChI Key: IXORZMNAPKEEDV-QTWFBFKQSA-N Synonym: gib-tabs, gibberellic acid ga3, gibberellin x, grocel, cekugib, brellin, gibreskol, gibberellin, gibberellin a3, gibberellic acid PubChem CID: 91757643 IUPAC Name: (1R,2R,5S,8S,9S,10R,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadec-13-ene-9-carboxylic acid SMILES: CC12[C@H]3[C@H](C(O)=O)[C@@]45CC(=C)[C@@](O)(C4)CC[C@H]5[C@]3(OC1=O)C=C[C@@H]2O

CAS: 936-58-3 Molecular Formula: C₁₀H₁₂O Molecular Weight (g/mol): 148.2 MDL Number: MFCD00039617 InChI Key: RGKVZBXSJFAZRE-UHFFFAOYSA-N Synonym: benzenemethanol, .alpha.-2-propenyl, benzenemethanol,a-2-propen-1-yl, 1-phenyl-3-buten-1-ol #, upenn_abs_025, acmc-1bdtt, 1-phenyl-but-3-en-1-ol, 4-phenyl-1-buten-4-ol, 1-phenyl-3-buten-1-ol PubChem CID: 220119 IUPAC Name: 1-phenylbut-3-en-1-ol SMILES: C=CCC(C1=CC=CC=C1)O

CAS: 1746-23-2 Molecular Formula: C12H16 Molecular Weight (g/mol): 160.26 MDL Number: MFCD00065126 InChI Key: QEDJMOONZLUIMC-UHFFFAOYSA-N Synonym: 4-t-butyl styrene, 1-tert-butyl-4-vinylbenzene, 9pct9cbw0v, 1-1,1-dimethylethyl-4-ethenylbenzene, unii-9pct9cbw0v, styrene, p-tert-butyl, benzene, 1-1,1-dimethylethyl-4-ethenyl, p-t-butylstyrene, p-tert-butylstyrene, 4-tert-butylstyrene PubChem CID: 15627 IUPAC Name: 1-tert-butyl-4-ethenylbenzene SMILES: CC(C)(C)C1=CC=C(C=C1)C=C

CAS: 103-65-1 Molecular Formula: C9H12 Molecular Weight (g/mol): 120.20 MDL Number: MFCD00009377 InChI Key: ODLMAHJVESYWTB-UHFFFAOYSA-N Synonym: propylbenzene, n, unii-0wr86zhg2z, propyl-benzene, n-propyl benzene, isocumene, 1-propylbenzene, benzene, propyl, phenylpropane, 1-phenylpropane, n-propylbenzene PubChem CID: 7668 ChEBI: CHEBI:42630 IUPAC Name: propylbenzene SMILES: CCCC1=CC=CC=C1

CAS: 110-82-7 Molecular Formula: C6H12 Molecular Weight (g/mol): 84.16 MDL Number: MFCD00003814 InChI Key: XDTMQSROBMDMFD-UHFFFAOYSA-N Synonym: polycyclohexane, benzenehexahydride, benzene, hexahydro, cyclohexaan, cicloesano, cykloheksan, cyclohexan, hexanaphthene, hexahydrobenzene, hexamethylene PubChem CID: 8078 ChEBI: CHEBI:29005 IUPAC Name: cyclohexane SMILES: C1CCCCC1

CAS: 142-30-3 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.198 MDL Number: MFCD00004468 InChI Key: IHJUECRFYCQBMW-UHFFFAOYSA-N Synonym: 2,5-dimethylhexyne-2,5-diol, unii-22rr53u71w, tetramethyl-2-butynediol, olfine y, 3-hexyne-2,5-diol, 2,5-dimethyl, acetylenepinacol, tetramethylbutynediol, kemitracin-50, dimethylhexynediol, 2,5-dimethyl-3-hexyne-2,5-diol PubChem CID: 8883 IUPAC Name: 2,5-dimethylhex-3-yne-2,5-diol SMILES: CC(C)(C#CC(C)(C)O)O

CAS: 42472-69-5 Molecular Formula: C10H8O Molecular Weight (g/mol): 144.17 MDL Number: MFCD04974025 InChI Key: WHFPFLKZXFBCSO-UHFFFAOYSA-N Synonym: ethanone,1-4-ethynylphenyl, 1-4-ethynylphenyl-ethanone, 4-acetylphenyl acetylene, 4-acetylphenylethyne, 1-4-ethynylphenyl ethan-1-one, 4'-ethynylacetophenone, ethanone, 1-4-ethynylphenyl, 4-acetylphenylacetylene, 1-4-ethynyl-phenyl-ethanone, 1-4-ethynylphenyl ethanone PubChem CID: 5123626 IUPAC Name: 1-(4-ethynylphenyl)ethanone SMILES: CC(=O)C1=CC=C(C=C1)C#C

CAS: 72824-04-5 Molecular Formula: C9H17BO2 Molecular Weight (g/mol): 168.04 MDL Number: MFCD00013347 InChI Key: YMHIEPNFCBNQQU-UHFFFAOYSA-N Synonym: abape, pinacol allylboronate, allylboronicacidpinacolester, 2-prop-2-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-2-propenyl, allylboronic acid piracol ester, 4,4,5,5-tetramethyl-2-prop-2-en-1-yl-1,3,2-dioxaborolane, allylboronic acid, pinacol cyclic ester, 2-allyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, allylboronic acid pinacol ester PubChem CID: 2763171 IUPAC Name: 4,4,5,5-tetramethyl-2-prop-2-enyl-1,3,2-dioxaborolane SMILES: CC1(C)OB(CC=C)OC1(C)C

CAS: 2213-32-3 Molecular Formula: C7H14 Molecular Weight (g/mol): 98.189 MDL Number: MFCD00039854 InChI Key: LXQPBCHJNIOMQU-UHFFFAOYSA-N Synonym: 1-pentene, 2,4-dimethyl-8ci 9ci, ch3 2chch2c ch3 =ch2, pentene, 2,4-dimethyl, acmc-1ch0z, 1-pentene, 2,4-dimethyl, 2,4-dimethyl-1-pentene PubChem CID: 16657 IUPAC Name: 2,4-dimethylpent-1-ene SMILES: CC(C)CC(=C)C

CAS: 989-38-8 Molecular Formula: C28H31ClN2O3 Molecular Weight (g/mol): 479.017 MDL Number: MFCD00012665 InChI Key: VYXSBFYARXAAKO-UHFFFAOYSA-N Synonym: Basic Red 1, C.I. 45160 PubChem CID: 51358423 IUPAC Name: ethyl 2-[3-(ethylamino)-6-ethylimino-2,7-dimethylxanthen-9-yl]benzoate;hydron;chloride SMILES: [H+].CCNC1=C(C=C2C(=C1)OC3=CC(=NCC)C(=CC3=C2C4=CC=CC=C4C(=O)OCC)C)C.[Cl-]

CAS: 873-73-4 Molecular Formula: C₈H₅Cl Molecular Weight (g/mol): 136.58 MDL Number: MFCD00191917 InChI Key: LFZJRTMTKGYJRS-UHFFFAOYSA-N Synonym: 4-chlorophenylethyne, 1-chlor-4-ethinylbenzol, p-chlorophenyl acetylene, p-chlorophenylacetylene, p-ethynylchlorobenzene, 1-chloro-4-ethynyl-benzene, 4-chlorophenyl acetylene, 4'-chlorophenyl acetylene, benzene, 1-chloro-4-ethynyl, 4-chlorophenylacetylene PubChem CID: 70118 IUPAC Name: 1-chloro-4-ethynylbenzene SMILES: C#CC1=CC=C(C=C1)Cl