Product OPENEYE NAME: 1-(1H-imidazol-5-yl)-2-methyl-1-[4-(3-thienyl)phenyl]propan-1-ol
CAS Name: 1-(1H-imidazol-5-yl)-2-methyl-1-[4-(3-thiophenyl)phenyl]-1-propanol
IUPAC NAME: 1-(1H-imidazol-5-yl)-2-methyl-1-(4-thiophen-3-ylphenyl)propan-1-ol
SYSTEMATIC NAME: 1-(1H-imidazol-5-yl)-2-methyl-1-(4-thiophen-3-ylphenyl)propan-1-ol
MOLECULAR FORMULA: C17H18N2OS
MOLECULAR WEIGHT: 298.40262
SMILES: CC(C)C(C1=CC=C(C=C1)C2=CSC=C2)(C3=CN=CN3)O
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Product OPENEYE NAME: 1-[[4-(5-methylsulfanyl-2-thienyl)phenyl]methyl]imidazole
CAS Name: 1-[[4-[5-(methylthio)-2-thiophenyl]phenyl]methyl]imidazole
IUPAC NAME: 1-[[4-(5-methylsulfanylthiophen-2-yl)phenyl]methyl]imidazole
SYSTEMATIC NAME: 1-[[4-(5-methylsulfanylthiophen-2-yl)phenyl]methyl]imidazole
MOLECULAR FORMULA: C15H14N2S2
MOLECULAR WEIGHT: 286.41506
SMILES: CSC1=CC=C(S1)C2=CC=C(C=C2)CN3C=CN=C3
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Product OPENEYE NAME: N-[(1S)-1-[2-[4-[(3S,4R)-4-(4-chlorophenyl)-1-propanoyl-pyrrolidine-3-carbonyl]piperazin-1-yl]-5-methyl-phenyl]-2-methyl-propyl]-3-(dimethylamino)propanamide
CAS Name: N-[(1S)-1-[2-[4-[[(3S,4R)-4-(4-chlorophenyl)-1-(1-oxopropyl)-3-pyrrolidinyl]-oxomethyl]-1-piperazinyl]-5-methylphenyl]-2-methylpropyl]-3-(dimethylamino)propanamide
IUPAC NAME: N-[(1S)-1-[2-[4-[(3S,4R)-4-(4-chlorophenyl)-1-propanoylpyrrolidine-3-carbonyl]piperazin-1-yl]-5-methylphenyl]-2-methylpropyl]-3-(dimethylamino)propanamide
SYSTEMATIC NAME: N-[(1S)-1-[2-[4-[(3S,4R)-4-(4-chlorophenyl)-1-propanoyl-pyrrolidin-3-yl]carbonylpiperazin-1-yl]-5-methyl-phenyl]-2-methyl-propyl]-3-(dimethylamino)propanamide
MOLECULAR FORMULA: C34H48ClN5O3
MOLECULAR WEIGHT: 610.22962
SMILES: CCC(=O)N1C[C@H]([C@@H](C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C)[C@H](C(C)C)NC(=O)CCN(C)C)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-(fluoromethoxy)-2-(3-furyl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
CAS Name: (2S,4aR,6aR,7R,9S,10aS,10bR)-9-(fluoromethoxy)-2-(3-furanyl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f][2]benzopyran-7-carboxylic acid methyl ester
IUPAC NAME: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-(fluoromethoxy)-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
SYSTEMATIC NAME: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-(fluoranylmethoxy)-2-(furan-3-yl)-6a,10b-dimethyl-4,10-bis(oxidanylidene)-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
MOLECULAR FORMULA: C22H27FO7
MOLECULAR WEIGHT: 422.443983
SMILES: C[C@@]12CC[C@H]3C(=O)O[C@@H](C[C@@]3([C@H]1C(=O)[C@H](C[C@H]2C(=O)OC)OCF)C)C4=COC=C4
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Product OPENEYE NAME: 4-[4-(1-imidazol-1-ylethyl)phenyl]morpholine
CAS Name: 4-[4-[1-(1-imidazolyl)ethyl]phenyl]morpholine
IUPAC NAME: 4-[4-(1-imidazol-1-ylethyl)phenyl]morpholine
SYSTEMATIC NAME: 4-[4-(1-imidazol-1-ylethyl)phenyl]morpholine
MOLECULAR FORMULA: C15H19N3O
MOLECULAR WEIGHT: 257.33086
SMILES: CC(C1=CC=C(C=C1)N2CCOCC2)N3C=CN=C3
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Product OPENEYE NAME: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(3-furyl)-6a,10b-dimethyl-9-(methylsulfanylmethoxy)-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
CAS Name: (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(3-furanyl)-6a,10b-dimethyl-9-[(methylthio)methoxy]-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f][2]benzopyran-7-carboxylic acid methyl ester
IUPAC NAME: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-6a,10b-dimethyl-9-(methylsulfanylmethoxy)-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
SYSTEMATIC NAME: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-6a,10b-dimethyl-9-(methylsulfanylmethoxy)-4,10-bis(oxidanylidene)-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
MOLECULAR FORMULA: C23H30O7S
MOLECULAR WEIGHT: 450.5451
SMILES: C[C@@]12CC[C@H]3C(=O)O[C@@H](C[C@@]3([C@H]1C(=O)[C@H](C[C@H]2C(=O)OC)OCSC)C)C4=COC=C4
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Product OPENEYE NAME: [3-(hexadecanoylamino)-2-oxo-propyl]phosphonic acid
CAS Name: [2-oxo-3-(1-oxohexadecylamino)propyl]phosphonic acid
IUPAC NAME: [3-(hexadecanoylamino)-2-oxopropyl]phosphonic acid
SYSTEMATIC NAME: [3-(hexadecanoylamino)-2-oxidanylidene-propyl]phosphonic acid
MOLECULAR FORMULA: C19H38NO5P
MOLECULAR WEIGHT: 391.482481
SMILES: CCCCCCCCCCCCCCCC(=O)NCC(=O)CP(=O)(O)O
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Product OPENEYE NAME: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-(benzyloxymethoxy)-2-(3-furyl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
CAS Name: (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(3-furanyl)-6a,10b-dimethyl-4,10-dioxo-9-(phenylmethoxymethoxy)-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f][2]benzopyran-7-carboxylic acid methyl ester
IUPAC NAME: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-9-(phenylmethoxymethoxy)-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
SYSTEMATIC NAME: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-6a,10b-dimethyl-4,10-bis(oxidanylidene)-9-(phenylmethoxymethoxy)-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
MOLECULAR FORMULA: C29H34O8
MOLECULAR WEIGHT: 510.57546
SMILES: C[C@@]12CC[C@H]3C(=O)O[C@@H](C[C@@]3([C@H]1C(=O)[C@H](C[C@H]2C(=O)OC)OCOCC4=CC=CC=C4)C)C5=COC=C5
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Product OPENEYE NAME: (3S,5S)-N,N-dimethyl-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide
CAS Name: (3S,5S)-N,N-dimethyl-5-[oxo(1-pyrrolidinyl)methyl]-3-pyrrolidinecarboxamide
IUPAC NAME: (3S,5S)-N,N-dimethyl-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide
SYSTEMATIC NAME: (3S,5S)-N,N-dimethyl-5-pyrrolidin-1-ylcarbonyl-pyrrolidine-3-carboxamide
MOLECULAR FORMULA: C12H21N3O2
MOLECULAR WEIGHT: 239.31404
SMILES: CN(C)C(=O)[C@H]1C[C@H](NC1)C(=O)N2CCCC2
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Product OPENEYE NAME: N-(4-chlorophenyl)-2-methylsulfanyl-thiazolo[5,4-b]quinolin-9-amine
CAS Name: N-(4-chlorophenyl)-2-(methylthio)-9-thiazolo[5,4-b]quinolinamine
IUPAC NAME: N-(4-chlorophenyl)-2-methylsulfanyl-[1,3]thiazolo[5,4-b]quinolin-9-amine
SYSTEMATIC NAME: N-(4-chlorophenyl)-2-methylsulfanyl-[1,3]thiazolo[5,4-b]quinolin-9-amine
MOLECULAR FORMULA: C17H12ClN3S2
MOLECULAR WEIGHT: 357.88028
SMILES: CSC1=NC2=C(C3=CC=CC=C3N=C2S1)NC4=CC=C(C=C4)Cl
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Product OPENEYE NAME: [4-(3,4-dichlorophenoxy)-3-(methylaminomethyl)phenyl]-(4-isopropylpiperazin-1-yl)methanone
CAS Name: [4-(3,4-dichlorophenoxy)-3-(methylaminomethyl)phenyl]-(4-propan-2-yl-1-piperazinyl)methanone
IUPAC NAME: [4-(3,4-dichlorophenoxy)-3-(methylaminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SYSTEMATIC NAME: [4-[3,4-bis(chloranyl)phenoxy]-3-(methylaminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
MOLECULAR FORMULA: C22H27Cl2N3O2
MOLECULAR WEIGHT: 436.37468
SMILES: CC(C)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)OC3=CC(=C(C=C3)Cl)Cl)CNC
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Product OPENEYE NAME: bis[[(3S,4S)-3-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl]methyl] dodecanedioate
CAS Name: dodecanedioic acid bis[[(3S,4S)-3-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl]methyl] ester
IUPAC NAME: bis[[(3S,4S)-3-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl]methyl] dodecanedioate
SYSTEMATIC NAME: bis[[(3S,4S)-3-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl]methyl] dodecanedioate
MOLECULAR FORMULA: C42H56Cl4N2O4
MOLECULAR WEIGHT: 794.71704
SMILES: CN1C2CCC1[C@H]([C@H](C2)C3=CC(=C(C=C3)Cl)Cl)COC(=O)CCCCCCCCCCC(=O)OC[C@H]4[C@H](CC5CCC4N5C)C6=CC(=C(C=C6)Cl)Cl
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Product OPENEYE NAME: N1-methyl-N3-(2-methylsulfanylthiazolo[5,4-b]quinolin-9-yl)benzene-1,3-diamine
CAS Name: N1-methyl-N3-[2-(methylthio)-9-thiazolo[5,4-b]quinolinyl]benzene-1,3-diamine
IUPAC NAME: 1-N-methyl-3-N-(2-methylsulfanyl-[1,3]thiazolo[5,4-b]quinolin-9-yl)benzene-1,3-diamine
SYSTEMATIC NAME: N1-methyl-N3-(2-methylsulfanyl-[1,3]thiazolo[5,4-b]quinolin-9-yl)benzene-1,3-diamine
MOLECULAR FORMULA: C18H16N4S2
MOLECULAR WEIGHT: 352.47644
SMILES: CNC1=CC=CC(=C1)NC2=C3C(=NC4=CC=CC=C42)SC(=N3)SC
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Product OPENEYE NAME: (E)-2-(5-chloro-2-thienyl)-N-[(3R)-1-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluoro-phenyl]-2-oxo-pyrrolidin-3-yl]ethenesulfonamide
CAS Name: (E)-2-(5-chloro-2-thiophenyl)-N-[(3R)-1-[4-[2-[(dimethylamino)methyl]-1-imidazolyl]-2-fluorophenyl]-2-oxo-3-pyrrolidinyl]ethenesulfonamide
IUPAC NAME: (E)-2-(5-chlorothiophen-2-yl)-N-[(3R)-1-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-2-oxopyrrolidin-3-yl]ethenesulfonamide
SYSTEMATIC NAME: (E)-2-(5-chloranylthiophen-2-yl)-N-[(3R)-1-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluoranyl-phenyl]-2-oxidanylidene-pyrrolidin-3-yl]ethenesulfonamide
MOLECULAR FORMULA: C22H23ClFN5O3S2
MOLECULAR WEIGHT: 524.031123
SMILES: CN(C)CC1=NC=CN1C2=CC(=C(C=C2)N3CC[C@H](C3=O)NS(=O)(=O)/C=C/C4=CC=C(S4)Cl)F
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Product OPENEYE NAME: (E)-2-(5-chloro-2-thienyl)-N-[1-[2-fluoro-4-[2-[(3-fluoropyrrolidin-1-yl)methyl]imidazol-1-yl]phenyl]-2-oxo-pyrrolidin-3-yl]ethenesulfonamide
CAS Name: (E)-2-(5-chloro-2-thiophenyl)-N-[1-[2-fluoro-4-[2-[(3-fluoro-1-pyrrolidinyl)methyl]-1-imidazolyl]phenyl]-2-oxo-3-pyrrolidinyl]ethenesulfonamide
IUPAC NAME: (E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-fluoro-4-[2-[(3-fluoropyrrolidin-1-yl)methyl]imidazol-1-yl]phenyl]-2-oxopyrrolidin-3-yl]ethenesulfonamide
SYSTEMATIC NAME: (E)-2-(5-chloranylthiophen-2-yl)-N-[1-[2-fluoranyl-4-[2-[(3-fluoranylpyrrolidin-1-yl)methyl]imidazol-1-yl]phenyl]-2-oxidanylidene-pyrrolidin-3-yl]ethenesulfonamide
MOLECULAR FORMULA: C24H24ClF2N5O3S2
MOLECULAR WEIGHT: 568.058866
SMILES: C1CN(CC1F)CC2=NC=CN2C3=CC(=C(C=C3)N4CCC(C4=O)NS(=O)(=O)/C=C/C5=CC=C(S5)Cl)F
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Product OPENEYE NAME: (E)-2-(5-chloro-2-thienyl)-N-[1-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-2-oxo-pyrrolidin-3-yl]ethenesulfonamide
CAS Name: (E)-2-(5-chloro-2-thiophenyl)-N-[1-[2-fluoro-4-[2-(methylaminomethyl)-1-imidazolyl]phenyl]-2-oxo-3-pyrrolidinyl]ethenesulfonamide
IUPAC NAME: (E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-2-oxopyrrolidin-3-yl]ethenesulfonamide
SYSTEMATIC NAME: (E)-2-(5-chloranylthiophen-2-yl)-N-[1-[2-fluoranyl-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-2-oxidanylidene-pyrrolidin-3-yl]ethenesulfonamide
MOLECULAR FORMULA: C21H21ClFN5O3S2
MOLECULAR WEIGHT: 510.004543
SMILES: CNCC1=NC=CN1C2=CC(=C(C=C2)N3CCC(C3=O)NS(=O)(=O)/C=C/C4=CC=C(S4)Cl)F
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Product OPENEYE NAME: 2-(3,7-dimethyloctyl)-6-hydroxy-5-methyl-3-propyl-1H-pyridin-4-one
CAS Name: 2-(3,7-dimethyloctyl)-6-hydroxy-5-methyl-3-propyl-1H-pyridin-4-one
IUPAC NAME: 2-(3,7-dimethyloctyl)-6-hydroxy-5-methyl-3-propyl-1H-pyridin-4-one
SYSTEMATIC NAME: 2-(3,7-dimethyloctyl)-5-methyl-6-oxidanyl-3-propyl-1H-pyridin-4-one
MOLECULAR FORMULA: C19H33NO2
MOLECULAR WEIGHT: 307.47082
SMILES: CCCC1=C(NC(=C(C1=O)C)O)CCC(C)CCCC(C)C
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Product OPENEYE NAME: 6-[(2E,5E)-3,7-dimethylocta-2,5-dienyl]-3-hydroxy-3-methyl-5-propyl-1H-pyridine-2,4-dione
CAS Name: 6-[(2E,5E)-3,7-dimethylocta-2,5-dienyl]-3-hydroxy-3-methyl-5-propyl-1H-pyridine-2,4-dione
IUPAC NAME: 6-[(2E,5E)-3,7-dimethylocta-2,5-dienyl]-3-hydroxy-3-methyl-5-propyl-1H-pyridine-2,4-dione
SYSTEMATIC NAME: 6-[(2E,5E)-3,7-dimethylocta-2,5-dienyl]-3-methyl-3-oxidanyl-5-propyl-1H-pyridine-2,4-dione
MOLECULAR FORMULA: C19H29NO3
MOLECULAR WEIGHT: 319.43846
SMILES: CCCC1=C(NC(=O)C(C1=O)(C)O)C/C=C(\C)/C/C=C/C(C)C
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Product OPENEYE NAME: 5-(4-benzyloxyphenyl)-2-(3-chlorophenyl)-3-(4-methoxyphenyl)tetrazol-3-ium chloride
CAS Name: 2-(3-chlorophenyl)-3-(4-methoxyphenyl)-5-(4-phenylmethoxyphenyl)tetrazol-3-ium chloride
IUPAC NAME: 2-(3-chlorophenyl)-3-(4-methoxyphenyl)-5-(4-phenylmethoxyphenyl)tetrazol-3-ium chloride
SYSTEMATIC NAME: 2-(3-chlorophenyl)-3-(4-methoxyphenyl)-5-(4-phenylmethoxyphenyl)-1,2,3,4-tetrazol-3-ium chloride
MOLECULAR FORMULA: C27H22Cl2N4O2
MOLECULAR WEIGHT: 505.39518
SMILES: COC1=CC=C(C=C1)[N+]2=NC(=NN2C3=CC(=CC=C3)Cl)C4=CC=C(C=C4)OCC5=CC=CC=C5.[Cl-]
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Product OPENEYE NAME: 5-(4-benzyloxyphenyl)-2-(3-chlorophenyl)-3-(4-methoxyphenyl)tetrazol-3-ium
CAS Name: 2-(3-chlorophenyl)-3-(4-methoxyphenyl)-5-(4-phenylmethoxyphenyl)tetrazol-3-ium
IUPAC NAME: 2-(3-chlorophenyl)-3-(4-methoxyphenyl)-5-(4-phenylmethoxyphenyl)tetrazol-3-ium
SYSTEMATIC NAME: 2-(3-chlorophenyl)-3-(4-methoxyphenyl)-5-(4-phenylmethoxyphenyl)-1,2,3,4-tetrazol-3-ium
MOLECULAR FORMULA: C27H22ClN4O2+
MOLECULAR WEIGHT: 469.94218
SMILES: COC1=CC=C(C=C1)[N+]2=NC(=NN2C3=CC(=CC=C3)Cl)C4=CC=C(C=C4)OCC5=CC=CC=C5
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Product OPENEYE NAME: sodium 1-amino-4-[4-[[4-chloro-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-3-sulfonato-anilino]-9,10-dioxo-anthracene-2-sulfonate
CAS Name: sodium 1-amino-4-[4-[[4-chloro-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-3-sulfonatoanilino]-9,10-dioxo-2-anthracenesulfonate
IUPAC NAME: sodium 1-amino-4-[4-[[4-chloro-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-3-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate
SYSTEMATIC NAME: sodium 1-azanyl-4-[[4-[[4-chloranyl-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-3-sulfonato-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate
MOLECULAR FORMULA: C29H17ClN7NaO11S3-2
MOLECULAR WEIGHT: 794.12335
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)NC5=NC(=NC(=N5)NC6=CC(=CC=C6)S(=O)(=O)[O-])Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+]
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