Product OPENEYE NAME: 2-hydroxypropyl octadecanoate
CAS Name: octadecanoic acid 2-hydroxypropyl ester
IUPAC NAME: 2-hydroxypropyl octadecanoate
SYSTEMATIC NAME: 2-oxidanylpropyl octadecanoate
MOLECULAR FORMULA: C21H42O3
MOLECULAR WEIGHT: 342.55638
SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(C)O
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Product OPENEYE NAME: 2,2-dimethylpropanoic acid; (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
CAS Name: 2,2-dimethylpropanoic acid; (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
IUPAC NAME: 2,2-dimethylpropanoic acid; (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
SYSTEMATIC NAME: 2,2-dimethylpropanoic acid; (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
MOLECULAR FORMULA: C23H34O4
MOLECULAR WEIGHT: 374.51366
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O.CC(C)(C)C(=O)O
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Product OPENEYE NAME: (8R,9S,13S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
CAS Name: (8R,9S,13S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
IUPAC NAME: (8R,9S,13S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
SYSTEMATIC NAME: (8R,9S,13S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
MOLECULAR FORMULA: C18H24O2
MOLECULAR WEIGHT: 272.38196
SMILES: C[C@]12CC[C@H]3[C@H](C1CC[C@@H]2O)CCC4=C3C=CC(=C4)O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H30FK2O9P
MOLECULAR WEIGHT: 590.658364
SMILES: CC1(O[C@@H]2C[C@H]3C4CCC5=CC(=O)C=CC5([C@]4([C@H](CC3([C@@]2(O1)C(=O)COP(=O)([O-])[O-])C)O)F)C)C.[K+].[K+]
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H14Cl2O2
MOLECULAR WEIGHT: 525.37976
SMILES: C1=CC=C2C(=C1)C3=C(C=C4C5=C6C(=CC(=C7C6=C(C=C5)C(=O)C8=CC=CC=C87)Cl)C9=C4C3=C(C2=O)C=C9)Cl
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Product OPENEYE NAME: 4-[(4-aminophenyl)-(4-methyliminocyclohexa-2,5-dien-1-ylidene)methyl]aniline
CAS Name: 4-[(4-aminophenyl)-(4-methylimino-1-cyclohexa-2,5-dienylidene)methyl]aniline
IUPAC NAME: 4-[(4-aminophenyl)-(4-methyliminocyclohexa-2,5-dien-1-ylidene)methyl]aniline
SYSTEMATIC NAME: 4-[(4-aminophenyl)-(4-methyliminocyclohexa-2,5-dien-1-ylidene)methyl]aniline
MOLECULAR FORMULA: C20H19N3
MOLECULAR WEIGHT: 301.38496
SMILES: CN=C1C=CC(=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N)C=C1
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Product OPENEYE NAME: [4-[[4-(diethylamino)phenyl]-[4-(ethylamino)-2-naphthyl]methylene]cyclohexa-2,5-dien-1-ylidene]-diethyl-ammonium
CAS Name: [4-[[4-(diethylamino)phenyl]-[4-(ethylamino)-2-naphthalenyl]methylidene]-1-cyclohexa-2,5-dienylidene]-diethylammonium
IUPAC NAME: [4-[[4-(diethylamino)phenyl]-[4-(ethylamino)naphthalen-2-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium
SYSTEMATIC NAME: [4-[[4-(diethylamino)phenyl]-[4-(ethylamino)naphthalen-2-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-diethyl-azanium
MOLECULAR FORMULA: C33H40N3+
MOLECULAR WEIGHT: 478.6908
SMILES: CCNC1=CC(=CC2=CC=CC=C21)C(=C3C=CC(=[N+](CC)CC)C=C3)C4=CC=C(C=C4)N(CC)CC
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Product OPENEYE NAME: arsenic(3+); oxygen(2-)
CAS Name: arsenic(3+); oxygen(2-)
IUPAC NAME: arsenic(3+); oxygen(2-)
SYSTEMATIC NAME: arsenic(3+); oxygen(2-)
MOLECULAR FORMULA: As2O3
MOLECULAR WEIGHT: 197.8414
SMILES: [O-2].[O-2].[O-2].[As+3].[As+3]
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Product OPENEYE NAME: sodium bis(4-amino-9,10-dioxo-1-anthryl)ammonium sulfite
CAS Name: sodium bis(4-amino-9,10-dioxo-1-anthracenyl)ammonium sulfite
IUPAC NAME: sodium bis(4-amino-9,10-dioxoanthracen-1-yl)azanium sulfite
SYSTEMATIC NAME: sodium bis[4-azanyl-9,10-bis(oxidanylidene)anthracen-1-yl]azanium sulfite
MOLECULAR FORMULA: C28H18N3NaO7S
MOLECULAR WEIGHT: 563.51319
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)[NH2+]C4=C5C(=C(C=C4)N)C(=O)C6=CC=CC=C6C5=O)N.[O-]S(=O)[O-].[Na+]
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Product OPENEYE NAME: undec-10-enoate
CAS Name: 10-undecenoate
IUPAC NAME: undec-10-enoate
SYSTEMATIC NAME: undec-10-enoate
MOLECULAR FORMULA: C11H19O2-
MOLECULAR WEIGHT: 183.26736
SMILES: C=CCCCCCCCCC(=O)[O-]
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H22ClNO3
MOLECULAR WEIGHT: 311.80378
SMILES: CO[C@@H]1C[C@@]23C(CC[NH+]2CCC4=C3CC(=O)OC4)C=C1.[Cl-]
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Product OPENEYE NAME:
CAS Name:
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H21NO3
MOLECULAR WEIGHT: 275.34284
SMILES: CO[C@@H]1C[C@@]23C(CCN2CCC4=C3CC(=O)OC4)C=C1
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