CAS RN: 7209-64-5
CAS Name: 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)thio]acetic acid
OPENEYE Name: 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]acetic acid
IUPAC Name: 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]acetic acid
SYSTEMATIC NAME: 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]ethanoic acid
MOLECULAR FORMULA: C11H12N2O2S
MOLECULAR WEIGHT: 236.29018
SMILES: CC1=CC2=C(C=C1C)N=C(N2)SCC(=O)O
Structure:
CAS RN: 51100-43-7
CAS Name: 6-hydroxy-1H-pyridin-2-one; sulfuric acid
OPENEYE Name: 6-hydroxy-1H-pyridin-2-one; sulfuric acid
IUPAC Name: 6-hydroxy-1H-pyridin-2-one; sulfuric acid
SYSTEMATIC NAME: 6-oxidanyl-1H-pyridin-2-one; sulfuric acid
MOLECULAR FORMULA: C5H7NO6S
MOLECULAR WEIGHT: 209.17718
SMILES: C1=CC(=O)NC(=C1)O.OS(=O)(=O)O
Structure:
CAS RN: 6742-26-3
CAS Name: 1-oxo-3,4-dihydro-2H-naphthalene-2-carboxylic acid ethyl ester
OPENEYE Name: ethyl 1-oxotetralin-2-carboxylate
IUPAC Name: ethyl 1-oxo-3,4-dihydro-2H-naphthalene-2-carboxylate
SYSTEMATIC NAME: ethyl 1-oxidanylidene-3,4-dihydro-2H-naphthalene-2-carboxylate
MOLECULAR FORMULA: C13H14O3
MOLECULAR WEIGHT: 218.24846
SMILES: CCOC(=O)C1CCC2=CC=CC=C2C1=O
Structure:
CAS RN: 35129-57-8
CAS Name: 4-methylbenzoic acid [5-(2-acetamido-6-chloro-9-purinyl)-3-[(4-methylphenyl)-oxomethoxy]-2-oxolanyl]methyl ester
OPENEYE Name: [5-(2-acetamido-6-chloro-purin-9-yl)-3-(4-methylbenzoyl)oxy-tetrahydrofuran-2-yl]methyl 4-methylbenzoate
IUPAC Name: [5-(2-acetamido-6-chloropurin-9-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate
SYSTEMATIC NAME: [5-(2-acetamido-6-chloranyl-purin-9-yl)-3-(4-methylphenyl)carbonyloxy-oxolan-2-yl]methyl 4-methylbenzoate
MOLECULAR FORMULA: C28H26ClN5O6
MOLECULAR WEIGHT: 563.98894
SMILES: CC1=CC=C(C=C1)C(=O)OCC2C(CC(O2)N3C=NC4=C3N=C(N=C4Cl)NC(=O)C)OC(=O)C5=CC=C(C=C5)C
Structure:
CAS RN: 27363-59-3
CAS Name: benzoic acid [2-[(benzoylthio)methyl]-5-(5-fluoro-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl] ester
OPENEYE Name: [2-(benzoylsulfanylmethyl)-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] benzoate
IUPAC Name: [2-(benzoylsulfanylmethyl)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] benzoate
SYSTEMATIC NAME: [5-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(phenylcarbonylsulfanylmethyl)oxolan-3-yl] benzoate
MOLECULAR FORMULA: C23H19FN2O6S
MOLECULAR WEIGHT: 470.470163
SMILES: C1C(C(OC1N2C=C(C(=O)NC2=O)F)CSC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
Structure:
CAS RN: 5664-34-6
CAS Name: 4-[bis(4-hydroxy-3-methoxyphenyl)methylidene]-2-methoxy-1-cyclohexa-2,5-dienone
OPENEYE Name: 4-[bis(4-hydroxy-3-methoxy-phenyl)methylene]-2-methoxy-cyclohexa-2,5-dien-1-one
IUPAC Name: 4-[bis(4-hydroxy-3-methoxyphenyl)methylidene]-2-methoxycyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 4-[bis(3-methoxy-4-oxidanyl-phenyl)methylidene]-2-methoxy-cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C22H20O6
MOLECULAR WEIGHT: 380.3906
SMILES: COC1=CC(=C(C2=CC(=C(C=C2)O)OC)C3=CC(=C(C=C3)O)OC)C=CC1=O
Structure:
CAS RN: 1914-66-5
CAS Name: 2-(2,4-dichlorophenoxy)-2-methylpropanoic acid
OPENEYE Name: 2-(2,4-dichlorophenoxy)-2-methyl-propanoic acid
IUPAC Name: 2-(2,4-dichlorophenoxy)-2-methylpropanoic acid
SYSTEMATIC NAME: 2-[2,4-bis(chloranyl)phenoxy]-2-methyl-propanoic acid
MOLECULAR FORMULA: C10H10Cl2O3
MOLECULAR WEIGHT: 249.0906
SMILES: CC(C)(C(=O)O)OC1=C(C=C(C=C1)Cl)Cl
Structure:
CAS RN: 350-93-6
CAS Name: 2,2,2-trifluoro-N'-phenylethanimidamide
OPENEYE Name: 2,2,2-trifluoro-N'-phenyl-acetamidine
IUPAC Name: 2,2,2-trifluoro-N'-phenylethanimidamide
SYSTEMATIC NAME: 2,2,2-tris(fluoranyl)-N'-phenyl-ethanimidamide
MOLECULAR FORMULA: C8H7F3N2
MOLECULAR WEIGHT: 188.14979
SMILES: C1=CC=C(C=C1)N=C(C(F)(F)F)N
Structure:
CAS RN: 93408-35-6
CAS Name: N,N'-bis[(2,4-dichlorophenyl)methyl]propane-1,3-diamine
OPENEYE Name: N,N'-bis[(2,4-dichlorophenyl)methyl]propane-1,3-diamine
IUPAC Name: N,N'-bis[(2,4-dichlorophenyl)methyl]propane-1,3-diamine
SYSTEMATIC NAME: N,N'-bis[(2,4-dichlorophenyl)methyl]propane-1,3-diamine
MOLECULAR FORMULA: C17H18Cl4N2
MOLECULAR WEIGHT: 392.15022
SMILES: C1=CC(=C(C=C1Cl)Cl)CNCCCNCC2=C(C=C(C=C2)Cl)Cl
Structure:
CAS RN: 56778-65-5
CAS Name: acetic acid [(3S,5R,6R,8S,9S,10R,13R,14S,17R)-6-bromo-5-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3S,5R,6R,8S,9S,10R,13R,14S,17R)-6-bromo-17-[(1R)-1,5-dimethylhexyl]-5-hydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: [(3S,5R,6R,8S,9S,10R,13R,14S,17R)-6-bromo-5-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [(3S,5R,6R,8S,9S,10R,13R,14S,17R)-6-bromanyl-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-5-oxidanyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C29H49BrO3
MOLECULAR WEIGHT: 525.60156
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)OC(=O)C)C)O)Br)C
Structure:
CAS RN: 32783-82-7
CAS Name: acetic acid [(3S,5R,6R,8S,9S,10R,13R,14S,17R)-6-fluoro-5-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3S,5R,6R,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-6-fluoro-5-hydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: [(3S,5R,6R,8S,9S,10R,13R,14S,17R)-6-fluoro-5-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [(3S,5R,6R,8S,9S,10R,13R,14S,17R)-6-fluoranyl-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-5-oxidanyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C29H49FO3
MOLECULAR WEIGHT: 464.695963
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)OC(=O)C)C)O)F)C
Structure:
CAS RN: 51770-81-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H34O3
MOLECULAR WEIGHT: 346.50356
SMILES: C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5)O)C)C)OC1=O
Structure:
CAS RN: 38221-55-5
CAS Name: 2-chloro-1-[2-(trifluoromethyl)-10-phenothiazinyl]ethanone
OPENEYE Name: 2-chloro-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone
IUPAC Name: 2-chloro-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone
SYSTEMATIC NAME: 2-chloranyl-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone
MOLECULAR FORMULA: C15H9ClF3NOS
MOLECULAR WEIGHT: 343.75127
SMILES: C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)C(F)(F)F)C(=O)CCl
Structure:
CAS RN: 52120-31-7
CAS Name: dodecoxymethylbenzene
OPENEYE Name: dodecoxymethylbenzene
IUPAC Name: dodecoxymethylbenzene
SYSTEMATIC NAME: dodecoxymethylbenzene
MOLECULAR FORMULA: C19H32O
MOLECULAR WEIGHT: 276.45678
SMILES: CCCCCCCCCCCCOCC1=CC=CC=C1
Structure:
CAS RN: 24570-04-5
CAS Name: 1-[2-(1-hydroxycyclohexyl)ethyl]-1-cyclohexanol
OPENEYE Name: 1-[2-(1-hydroxycyclohexyl)ethyl]cyclohexanol
IUPAC Name: 1-[2-(1-hydroxycyclohexyl)ethyl]cyclohexan-1-ol
SYSTEMATIC NAME: 1-[2-(1-oxidanylcyclohexyl)ethyl]cyclohexan-1-ol
MOLECULAR FORMULA: C14H26O2
MOLECULAR WEIGHT: 226.35504
SMILES: C1CCC(CC1)(CCC2(CCCCC2)O)O
Structure:
CAS RN: 69034-13-5
CAS Name: 1-(2,2-diethoxyethoxy)-4-methoxybenzene
OPENEYE Name: 1-(2,2-diethoxyethoxy)-4-methoxy-benzene
IUPAC Name: 1-(2,2-diethoxyethoxy)-4-methoxybenzene
SYSTEMATIC NAME: 1-(2,2-diethoxyethoxy)-4-methoxy-benzene
MOLECULAR FORMULA: C13H20O4
MOLECULAR WEIGHT: 240.2955
SMILES: CCOC(COC1=CC=C(C=C1)OC)OCC
Structure:
CAS RN: 80565-58-8
CAS Name: 1-(2,2-diethoxyethoxy)-4-methoxybenzene
OPENEYE Name: 1-(2,2-diethoxyethoxy)-4-methoxy-benzene
IUPAC Name: 1-(2,2-diethoxyethoxy)-4-methoxybenzene
SYSTEMATIC NAME: 1-(2,2-diethoxyethoxy)-4-methoxy-benzene
MOLECULAR FORMULA: C13H20O4
MOLECULAR WEIGHT: 240.2955
SMILES: CCOC(COC1=CC=C(C=C1)OC)OCC
Structure:
CAS RN: 28998-51-8
CAS Name: 1-(4-methoxyphenyl)-2,2-dimethylpropane-1,3-diol
OPENEYE Name: 1-(4-methoxyphenyl)-2,2-dimethyl-propane-1,3-diol
IUPAC Name: 1-(4-methoxyphenyl)-2,2-dimethylpropane-1,3-diol
SYSTEMATIC NAME: 1-(4-methoxyphenyl)-2,2-dimethyl-propane-1,3-diol
MOLECULAR FORMULA: C12H18O3
MOLECULAR WEIGHT: 210.26952
SMILES: CC(C)(CO)C(C1=CC=C(C=C1)OC)O
Structure:
CAS RN: 2910-85-2
CAS Name: 4-(3-methylbutoxy)benzoic acid
OPENEYE Name: 4-isopentyloxybenzoic acid
IUPAC Name: 4-(3-methylbutoxy)benzoic acid
SYSTEMATIC NAME: 4-(3-methylbutoxy)benzoic acid
MOLECULAR FORMULA: C12H16O3
MOLECULAR WEIGHT: 208.25364
SMILES: CC(C)CCOC1=CC=C(C=C1)C(=O)O
Structure:
CAS RN: 81758-27-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 221.2524
SMILES: CC(CN1C(=O)C2C3CC(C2C1=O)C=C3)O
Structure:
CAS RN: 1204-54-2
CAS Name: 2-(2-furanyl)-4,4,6-trimethyl-1,3-dioxane
OPENEYE Name: 2-(2-furyl)-4,4,6-trimethyl-1,3-dioxane
IUPAC Name: 2-(furan-2-yl)-4,4,6-trimethyl-1,3-dioxane
SYSTEMATIC NAME: 2-(furan-2-yl)-4,4,6-trimethyl-1,3-dioxane
MOLECULAR FORMULA: C11H16O3
MOLECULAR WEIGHT: 196.24294
SMILES: CC1CC(OC(O1)C2=CC=CO2)(C)C
Structure:
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