CAS RN: 517-43-1
CAS Name: 9-[2-carboxy-4-hydroxy-10-oxo-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-9H-anthracene-2-carboxylic acid
OPENEYE Name: 9-[2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-9H-anthracene-2-carboxylic acid
IUPAC Name: 9-[2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid
SYSTEMATIC NAME: 9-[2-carboxy-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-10-oxidanylidene-9H-anthracen-9-yl]-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-10-oxidanylidene-9H-anthracene-2-carboxy
MOLECULAR FORMULA: C42H38O20
MOLECULAR WEIGHT: 862.73912
SMILES: C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O
Structure:
CAS RN: 66575-30-2
CAS Name: 9-[2-carboxy-4-hydroxy-10-oxo-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-9H-anthracene-2-carboxylic acid
OPENEYE Name: 9-[2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-9H-anthracene-2-carboxylic acid
IUPAC Name: 9-[2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid
SYSTEMATIC NAME: 9-[2-carboxy-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-10-oxidanylidene-9H-anthracen-9-yl]-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-10-oxidanylidene-9H-anthracene-2-carboxy
MOLECULAR FORMULA: C42H38O20
MOLECULAR WEIGHT: 862.73912
SMILES: C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O
Structure:
CAS RN: 73613-07-7
CAS Name: 9-[2-carboxy-4-hydroxy-10-oxo-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-9H-anthracene-2-carboxylic acid
OPENEYE Name: 9-[2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-9H-anthracene-2-carboxylic acid
IUPAC Name: 9-[2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid
SYSTEMATIC NAME: 9-[2-carboxy-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-10-oxidanylidene-9H-anthracen-9-yl]-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-10-oxidanylidene-9H-anthracene-2-carboxy
MOLECULAR FORMULA: C42H38O20
MOLECULAR WEIGHT: 862.73912
SMILES: C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O
Structure:
CAS RN: 41372-02-5
CAS Name: N,N'-bis(phenylmethyl)ethane-1,2-diamine; (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; tetrahydrate
OPENEYE Name: N,N'-dibenzylethane-1,2-diamine; (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; tetrahydrate
IUPAC Name: N,N'-dibenzylethane-1,2-diamine; (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; tetrahydrate
SYSTEMATIC NAME: N,N'-bis(phenylmethyl)ethane-1,2-diamine; (2S,5R,6R)-3,3-dimethyl-7-oxidanylidene-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; tetrahydrate
MOLECULAR FORMULA: C48H64N6O12S2
MOLECULAR WEIGHT: 981.18476
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2.O.O.O.O
Structure:
CAS RN: 2920-86-7
CAS Name: 4-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acid
OPENEYE Name: 4-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethoxy]-4-oxo-butanoic acid
IUPAC Name: 4-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[2-[(8S,9S,10R,11S,13S,14S,17R)-10,13-dimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethoxy]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C25H32O8
MOLECULAR WEIGHT: 460.51678
SMILES: C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COC(=O)CCC(=O)O)O)CCC4=CC(=O)C=C[C@]34C)O
Structure:
CAS RN: 150587-07-8
CAS Name: (8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-17-(1-oxo-2-phenylmethoxyethyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (8S,9R,10S,11S,13S,14S,16R,17R)-17-(2-benzyloxyacetyl)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-17-(2-phenylmethoxyacetyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-17-(2-phenylmethoxyethanoyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C29H35FO5
MOLECULAR WEIGHT: 482.583603
SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COCC5=CC=CC=C5)O)C)O)F)C
Structure:
CAS RN: 83880-70-0
CAS Name: 2-furancarboxylic acid [(8S,9R,10S,11S,13S,14S,16R,17R)-17-(2-acetyloxy-1-oxoethyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(8S,9R,10S,11S,13S,14S,16R,17R)-17-(2-acetoxyacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate
IUPAC Name: [(8S,9R,10S,11S,13S,14S,16R,17R)-17-(2-acetyloxyacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate
SYSTEMATIC NAME: [(8S,9R,10S,11S,13S,14S,16R,17R)-17-(2-acetyloxyethanoyl)-9-fluoranyl-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate
MOLECULAR FORMULA: C29H33FO8
MOLECULAR WEIGHT: 528.565923
SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)OC(=O)C5=CC=CO5)C)O)F)C
Structure:
CAS RN: 113241-47-7
CAS Name: N-(3,4-dimethoxyphenyl)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-4-nitrobenzamide hydrochloride
OPENEYE Name: N-(3,4-dimethoxyphenyl)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-4-nitro-benzamide hydrochloride
IUPAC Name: N-(3,4-dimethoxyphenyl)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-4-nitrobenzamide hydrochloride
SYSTEMATIC NAME: N-(3,4-dimethoxyphenyl)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-4-nitro-benzamide hydrochloride
MOLECULAR FORMULA: C29H36ClN3O7
MOLECULAR WEIGHT: 574.06504
SMILES: CN(CCCN(C1=CC(=C(C=C1)OC)OC)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])CCC3=CC(=C(C=C3)OC)OC.Cl
Structure:
CAS RN: 60563-36-2
CAS Name: 5,6-dichloro-3-ethyl-1H-benzimidazol-2-one
OPENEYE Name: 5,6-dichloro-3-ethyl-1H-benzimidazol-2-one
IUPAC Name: 5,6-dichloro-3-ethyl-1H-benzimidazol-2-one
SYSTEMATIC NAME: 5,6-bis(chloranyl)-3-ethyl-1H-benzimidazol-2-one
MOLECULAR FORMULA: C9H8Cl2N2O
MOLECULAR WEIGHT: 231.07862
SMILES: CCN1C2=CC(=C(C=C2NC1=O)Cl)Cl
Structure:
CAS RN: 187523-35-9
CAS Name: (3R)-3-(5-chloro-2-methoxyphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one
OPENEYE Name: (3R)-3-(5-chloro-2-methoxy-phenyl)-3-fluoro-6-(trifluoromethyl)indolin-2-one
IUPAC Name: (3R)-3-(5-chloro-2-methoxyphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one
SYSTEMATIC NAME: (3R)-3-(5-chloranyl-2-methoxy-phenyl)-3-fluoranyl-6-(trifluoromethyl)-1H-indol-2-one
MOLECULAR FORMULA: C16H10ClF4NO2
MOLECULAR WEIGHT: 359.702713
SMILES: COC1=C(C=C(C=C1)Cl)[C@@]2(C3=C(C=C(C=C3)C(F)(F)F)NC2=O)F
Structure:
CAS RN: 78774-26-2
CAS Name: (3aS,3bS,5aR,7S,9aS,9bS,11aS)-2-amino-7-hydroxy-9a,11a-dimethyl-3,3a,3b,4,5,5a,6,7,8,9,9b,11-dodecahydronaphtho[2,1-e]indol-10-one
OPENEYE Name: (3aS,3bS,5aR,7S,9aS,9bS,11aS)-2-amino-7-hydroxy-9a,11a-dimethyl-3,3a,3b,4,5,5a,6,7,8,9,9b,11-dodecahydronaphtho[2,1-e]indol-10-one
IUPAC Name: (3aS,3bS,5aR,7S,9aS,9bS,11aS)-2-amino-7-hydroxy-9a,11a-dimethyl-3,3a,3b,4,5,5a,6,7,8,9,9b,11-dodecahydronaphtho[2,1-e]indol-10-one
SYSTEMATIC NAME: (3aS,3bS,5aR,7S,9aS,9bS,11aS)-2-azanyl-9a,11a-dimethyl-7-oxidanyl-3,3a,3b,4,5,5a,6,7,8,9,9b,11-dodecahydronaphtho[2,1-e]indol-10-one
MOLECULAR FORMULA: C18H28N2O2
MOLECULAR WEIGHT: 304.42712
SMILES: C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC(=N4)N)C)O
Structure:
CAS RN: 12236-82-7
CAS Name: 1-amino-4-[4-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-3-sulfoanilino]-9,10-dioxo-2-anthracenesulfonic acid
OPENEYE Name: 1-amino-4-[4-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-3-sulfo-anilino]-9,10-dioxo-anthracene-2-sulfonic acid
IUPAC Name: 1-amino-4-[4-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-3-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid
SYSTEMATIC NAME: 1-azanyl-4-[[4-[[4-chloranyl-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-3-sulfo-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid
MOLECULAR FORMULA: C29H20ClN7O11S3
MOLECULAR WEIGHT: 774.1574
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
Structure:
CAS RN: 12237-92-2
CAS Name: 1-amino-4-[4-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-3-sulfoanilino]-9,10-dioxo-2-anthracenesulfonic acid
OPENEYE Name: 1-amino-4-[4-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-3-sulfo-anilino]-9,10-dioxo-anthracene-2-sulfonic acid
IUPAC Name: 1-amino-4-[4-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-3-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid
SYSTEMATIC NAME: 1-azanyl-4-[[4-[[4-chloranyl-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-3-sulfo-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid
MOLECULAR FORMULA: C29H20ClN7O11S3
MOLECULAR WEIGHT: 774.1574
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
Structure:
CAS RN: 26763-68-8
CAS Name: 1-amino-4-[4-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-3-sulfoanilino]-9,10-dioxo-2-anthracenesulfonic acid
OPENEYE Name: 1-amino-4-[4-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-3-sulfo-anilino]-9,10-dioxo-anthracene-2-sulfonic acid
IUPAC Name: 1-amino-4-[4-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-3-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid
SYSTEMATIC NAME: 1-azanyl-4-[[4-[[4-chloranyl-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-3-sulfo-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid
MOLECULAR FORMULA: C29H20ClN7O11S3
MOLECULAR WEIGHT: 774.1574
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
Structure:
CAS RN: 778536-90-6
CAS Name: 1-amino-4-[4-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-3-sulfoanilino]-9,10-dioxo-2-anthracenesulfonic acid
OPENEYE Name: 1-amino-4-[4-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-3-sulfo-anilino]-9,10-dioxo-anthracene-2-sulfonic acid
IUPAC Name: 1-amino-4-[4-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-3-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid
SYSTEMATIC NAME: 1-azanyl-4-[[4-[[4-chloranyl-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-3-sulfo-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid
MOLECULAR FORMULA: C29H20ClN7O11S3
MOLECULAR WEIGHT: 774.1574
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
Structure:
CAS RN: 802902-10-9
CAS Name: 1-amino-4-[4-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-3-sulfoanilino]-9,10-dioxo-2-anthracenesulfonic acid
OPENEYE Name: 1-amino-4-[4-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-3-sulfo-anilino]-9,10-dioxo-anthracene-2-sulfonic acid
IUPAC Name: 1-amino-4-[4-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-3-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid
SYSTEMATIC NAME: 1-azanyl-4-[[4-[[4-chloranyl-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-3-sulfo-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid
MOLECULAR FORMULA: C29H20ClN7O11S3
MOLECULAR WEIGHT: 774.1574
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
Structure:
CAS RN: 136790-76-6
CAS Name: 7-[(2R,4aR,5S,7aR)-2-(1,1-difluoropentyl)-2-hydroxy-6-oxo-3,4,4a,5,7,7a-hexahydrocyclopenta[b]pyran-5-yl]heptanoic acid
OPENEYE Name: 7-[(2R,4aR,5S,7aR)-2-(1,1-difluoropentyl)-2-hydroxy-6-oxo-3,4,4a,5,7,7a-hexahydrocyclopenta[b]pyran-5-yl]heptanoic acid
IUPAC Name: 7-[(2R,4aR,5S,7aR)-2-(1,1-difluoropentyl)-2-hydroxy-6-oxo-3,4,4a,5,7,7a-hexahydrocyclopenta[b]pyran-5-yl]heptanoic acid
SYSTEMATIC NAME: 7-[(2R,4aR,5S,7aR)-2-[1,1-bis(fluoranyl)pentyl]-2-oxidanyl-6-oxidanylidene-3,4,4a,5,7,7a-hexahydrocyclopenta[b]pyran-5-yl]heptanoic acid
MOLECULAR FORMULA: C20H32F2O5
MOLECULAR WEIGHT: 390.461886
SMILES: CCCCC([C@]1(CC[C@H]2[C@H](O1)CC(=O)[C@H]2CCCCCCC(=O)O)O)(F)F
Structure:
CAS RN: 54197-31-8
CAS Name: 2-[[(2S)-6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl]oxy]acetic acid
OPENEYE Name: 2-[(2S)-6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-indan-5-yl]oxyacetic acid
IUPAC Name: 2-[[(2S)-6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl]oxy]acetic acid
SYSTEMATIC NAME: 2-[[(2S)-6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3H-inden-5-yl]oxy]ethanoic acid
MOLECULAR FORMULA: C17H18Cl2O4
MOLECULAR WEIGHT: 357.22842
SMILES: C[C@]1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCC(=O)O)C3CCCC3
Structure:
CAS RN: 57376-72-4
CAS Name: (1S,3S)-3-amino-1-cyclopentanecarboxylic acid
OPENEYE Name: (1S,3S)-3-aminocyclopentanecarboxylic acid
IUPAC Name: (1S,3S)-3-aminocyclopentane-1-carboxylic acid
SYSTEMATIC NAME: (1S,3S)-3-azanylcyclopentane-1-carboxylic acid
MOLECULAR FORMULA: C6H11NO2
MOLECULAR WEIGHT: 129.15704
SMILES: C1C[C@@H](C[C@H]1C(=O)O)N
Structure:
CAS RN: 17804-54-5
CAS Name: [4-(2,5-dioxo-1-pyrrolyl)phenyl]-trimethylammonium iodide
OPENEYE Name: [4-(2,5-dioxopyrrol-1-yl)phenyl]-trimethyl-ammonium iodide
IUPAC Name: [4-(2,5-dioxopyrrol-1-yl)phenyl]-trimethylazanium iodide
SYSTEMATIC NAME: [4-[2,5-bis(oxidanylidene)pyrrol-1-yl]phenyl]-trimethyl-azanium iodide
MOLECULAR FORMULA: C13H15IN2O2
MOLECULAR WEIGHT: 358.17487
SMILES: C[N+](C)(C)C1=CC=C(C=C1)N2C(=O)C=CC2=O.[I-]
Structure:
CAS RN: 40748-21-8
CAS Name: [4-(2,5-dioxo-1-pyrrolyl)phenyl]methyl-trimethylammonium iodide
OPENEYE Name: [4-(2,5-dioxopyrrol-1-yl)phenyl]methyl-trimethyl-ammonium iodide
IUPAC Name: [4-(2,5-dioxopyrrol-1-yl)phenyl]methyl-trimethylazanium iodide
SYSTEMATIC NAME: [4-[2,5-bis(oxidanylidene)pyrrol-1-yl]phenyl]methyl-trimethyl-azanium iodide
MOLECULAR FORMULA: C14H17IN2O2
MOLECULAR WEIGHT: 372.20145
SMILES: C[N+](C)(C)CC1=CC=C(C=C1)N2C(=O)C=CC2=O.[I-]
Structure:
CAS RN: 487-91-2
CAS Name: 2-(5-hydroxy-1H-indol-3-yl)ethyl-trimethylammonium
OPENEYE Name: 2-(5-hydroxy-1H-indol-3-yl)ethyl-trimethyl-ammonium
IUPAC Name: 2-(5-hydroxy-1H-indol-3-yl)ethyl-trimethylazanium
SYSTEMATIC NAME: trimethyl-[2-(5-oxidanyl-1H-indol-3-yl)ethyl]azanium
MOLECULAR FORMULA: C13H19N2O+
MOLECULAR WEIGHT: 219.30276
SMILES: C[N+](C)(C)CCC1=CNC2=C1C=C(C=C2)O
Structure:
CAS RN: 60657-23-0
CAS Name: 2-(5-hydroxy-1H-indol-3-yl)ethyl-trimethylammonium
OPENEYE Name: 2-(5-hydroxy-1H-indol-3-yl)ethyl-trimethyl-ammonium
IUPAC Name: 2-(5-hydroxy-1H-indol-3-yl)ethyl-trimethylazanium
SYSTEMATIC NAME: trimethyl-[2-(5-oxidanyl-1H-indol-3-yl)ethyl]azanium
MOLECULAR FORMULA: C13H19N2O+
MOLECULAR WEIGHT: 219.30276
SMILES: C[N+](C)(C)CCC1=CNC2=C1C=C(C=C2)O
Structure:
CAS RN: 17146-95-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H33NO4
MOLECULAR WEIGHT: 375.50172
SMILES: C[C@H]1[C@H]2CC3=C([C@@]1(CCN2CC=C(C)C)C)C=C(C=C3)O.CC(C(=O)O)O
Structure:
CAS RN: 139755-03-6
CAS Name: 2,3-bis(4-hydroxyphenyl)propane-1,2-diol
OPENEYE Name: 2,3-bis(4-hydroxyphenyl)propane-1,2-diol
IUPAC Name: 2,3-bis(4-hydroxyphenyl)propane-1,2-diol
SYSTEMATIC NAME: 2,3-bis(4-hydroxyphenyl)propane-1,2-diol
MOLECULAR FORMULA: C15H16O4
MOLECULAR WEIGHT: 260.28514
SMILES: C1=CC(=CC=C1CC(CO)(C2=CC=C(C=C2)O)O)O
Structure:
CAS RN: 92549-67-2
CAS Name: 2,2-bis(4-hydroxyphenyl)propanoic acid
OPENEYE Name: 2,2-bis(4-hydroxyphenyl)propanoic acid
IUPAC Name: 2,2-bis(4-hydroxyphenyl)propanoic acid
SYSTEMATIC NAME: 2,2-bis(4-hydroxyphenyl)propanoic acid
MOLECULAR FORMULA: C15H14O4
MOLECULAR WEIGHT: 258.26926
SMILES: CC(C1=CC=C(C=C1)O)(C2=CC=C(C=C2)O)C(=O)O
Structure:
CAS RN: 142648-65-5
CAS Name: 4-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]phenol
OPENEYE Name: 4-[2-hydroxy-1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol
IUPAC Name: 4-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]phenol
SYSTEMATIC NAME: 4-[2-(4-hydroxyphenyl)-1-oxidanyl-propan-2-yl]phenol
MOLECULAR FORMULA: C15H16O3
MOLECULAR WEIGHT: 244.28574
SMILES: CC(CO)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
Structure:
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