CAS RN: 29710-34-7
CAS Name: ethenoxyethene; 1-(1-naphthalenyl)pyrrole-2,5-dione
OPENEYE Name: 1-(1-naphthyl)pyrrole-2,5-dione; vinyloxyethylene
IUPAC Name: ethenoxyethene; 1-naphthalen-1-ylpyrrole-2,5-dione
SYSTEMATIC NAME: ethenoxyethene; 1-naphthalen-1-ylpyrrole-2,5-dione
MOLECULAR FORMULA: C18H15NO3
MOLECULAR WEIGHT: 293.3166
SMILES: C=COC=C.C1=CC=C2C(=C1)C=CC=C2N3C(=O)C=CC3=O
Structure:
CAS RN: 29705-38-2
CAS Name: ethenoxyethene; 1-(2-methylpropyl)pyrrole-2,5-dione
OPENEYE Name: 1-isobutylpyrrole-2,5-dione; vinyloxyethylene
IUPAC Name: ethenoxyethene; 1-(2-methylpropyl)pyrrole-2,5-dione
SYSTEMATIC NAME: ethenoxyethene; 1-(2-methylpropyl)pyrrole-2,5-dione
MOLECULAR FORMULA: C12H17NO3
MOLECULAR WEIGHT: 223.26828
SMILES: CC(C)CN1C(=O)C=CC1=O.C=COC=C
Structure:
CAS RN: 29707-60-6
CAS Name: ethenoxyethene; 1-propan-2-ylpyrrole-2,5-dione
OPENEYE Name: 1-isopropylpyrrole-2,5-dione; vinyloxyethylene
IUPAC Name: ethenoxyethene; 1-propan-2-ylpyrrole-2,5-dione
SYSTEMATIC NAME: ethenoxyethene; 1-propan-2-ylpyrrole-2,5-dione
MOLECULAR FORMULA: C11H15NO3
MOLECULAR WEIGHT: 209.2417
SMILES: CC(C)N1C(=O)C=CC1=O.C=COC=C
Structure:
CAS RN: 1029-21-6
CAS Name: 3-[(3-methoxyphenyl)methylidene]-2-benzofuranone
OPENEYE Name: 3-[(3-methoxyphenyl)methylene]benzofuran-2-one
IUPAC Name: 3-[(3-methoxyphenyl)methylidene]-1-benzofuran-2-one
SYSTEMATIC NAME: 3-[(3-methoxyphenyl)methylidene]-1-benzofuran-2-one
MOLECULAR FORMULA: C16H12O3
MOLECULAR WEIGHT: 252.26468
SMILES: COC1=CC=CC(=C1)C=C2C3=CC=CC=C3OC2=O
Structure:
CAS RN: 7250-12-6
CAS Name: (2-amino-7H-purin-8-yl)-phenylmethanol
OPENEYE Name: (2-amino-7H-purin-8-yl)-phenyl-methanol
IUPAC Name: (2-amino-7H-purin-8-yl)-phenylmethanol
SYSTEMATIC NAME: (2-azanyl-7H-purin-8-yl)-phenyl-methanol
MOLECULAR FORMULA: C12H11N5O
MOLECULAR WEIGHT: 241.24864
SMILES: C1=CC=C(C=C1)C(C2=NC3=NC(=NC=C3N2)N)O
Structure:
CAS RN: 34456-75-2
CAS Name: 4-amino-2-chlorobenzoic acid; diphenyl hydrogen phosphate
OPENEYE Name: 4-amino-2-chloro-benzoic acid; diphenyl hydrogen phosphate
IUPAC Name: 4-amino-2-chlorobenzoic acid; diphenyl hydrogen phosphate
SYSTEMATIC NAME: 4-azanyl-2-chloranyl-benzoic acid; diphenyl hydrogen phosphate
MOLECULAR FORMULA: C19H17ClNO6P
MOLECULAR WEIGHT: 421.768141
SMILES: C1=CC=C(C=C1)OP(=O)(O)OC2=CC=CC=C2.C1=CC(=C(C=C1N)Cl)C(=O)O
Structure:
CAS RN: 36614-30-9
CAS Name: 4-amino-2-hydroxybenzoic acid; diphenyl hydrogen phosphate
OPENEYE Name: 4-amino-2-hydroxy-benzoic acid; diphenyl hydrogen phosphate
IUPAC Name: 4-amino-2-hydroxybenzoic acid; diphenyl hydrogen phosphate
SYSTEMATIC NAME: 4-azanyl-2-oxidanyl-benzoic acid; diphenyl hydrogen phosphate
MOLECULAR FORMULA: C19H18NO7P
MOLECULAR WEIGHT: 403.322481
SMILES: C1=CC=C(C=C1)OP(=O)(O)OC2=CC=CC=C2.C1=CC(=C(C=C1N)O)C(=O)O
Structure:
CAS RN: 1622-54-4
CAS Name: 1-(2-chloroethyl)-3-(2-cyanoethyl)urea
OPENEYE Name: 1-(2-chloroethyl)-3-(2-cyanoethyl)urea
IUPAC Name: 1-(2-chloroethyl)-3-(2-cyanoethyl)urea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-(2-cyanoethyl)urea
MOLECULAR FORMULA: C6H10ClN3O
MOLECULAR WEIGHT: 175.6161
SMILES: C(CNC(=O)NCCCl)C#N
Structure:
CAS RN: 1198-44-3
CAS Name: 4-oxo-3-thianecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4-oxotetrahydrothiopyran-3-carboxylate
IUPAC Name: ethyl 4-oxothiane-3-carboxylate
SYSTEMATIC NAME: ethyl 4-oxidanylidenethiane-3-carboxylate
MOLECULAR FORMULA: C8H12O3S
MOLECULAR WEIGHT: 188.24408
SMILES: CCOC(=O)C1CSCCC1=O
Structure:
CAS RN: 78466-70-3
CAS Name: 1-(1-cyclohexenyl)-2,3,4-trimethoxybenzene
OPENEYE Name: 1-(cyclohexen-1-yl)-2,3,4-trimethoxy-benzene
IUPAC Name: 1-(cyclohexen-1-yl)-2,3,4-trimethoxybenzene
SYSTEMATIC NAME: 1-(cyclohexen-1-yl)-2,3,4-trimethoxy-benzene
MOLECULAR FORMULA: C15H20O3
MOLECULAR WEIGHT: 248.3175
SMILES: COC1=C(C(=C(C=C1)C2=CCCCC2)OC)OC
Structure:
CAS RN: 19341-50-5
CAS Name: N3,N9-dicyclopentyl-3,9-dioxo-2,4,8,10-tetraoxa-3$l^{5},9$l^{5}-diphosphaspiro[5.5]undecane-3,9-diamine
OPENEYE Name: N3,N9-dicyclopentyl-3,9-dioxo-2,4,8,10-tetraoxa-3$l^{5},9$l^{5}-diphosphaspiro[5.5]undecane-3,9-diamine
IUPAC Name: 3-N,9-N-dicyclopentyl-3,9-dioxo-2,4,8,10-tetraoxa-3$l^{5},9$l^{5}-diphosphaspiro[5.5]undecane-3,9-diamine
SYSTEMATIC NAME: N3,N9-dicyclopentyl-3,9-bis(oxidanylidene)-2,4,8,10-tetraoxa-3$l^{5},9$l^{5}-diphosphaspiro[5.5]undecane-3,9-diamine
MOLECULAR FORMULA: C15H28N2O6P2
MOLECULAR WEIGHT: 394.340142
SMILES: C1CCC(C1)NP2(=O)OCC3(CO2)COP(=O)(OC3)NC4CCCC4
Structure:
CAS RN: 10432-36-7
CAS Name: spiro[2.5]octane-1,1,2,2-tetracarbonitrile
OPENEYE Name: spiro[2.5]octane-1,1,2,2-tetracarbonitrile
IUPAC Name: spiro[2.5]octane-1,1,2,2-tetracarbonitrile
SYSTEMATIC NAME: spiro[2.5]octane-1,1,2,2-tetracarbonitrile
MOLECULAR FORMULA: C12H10N4
MOLECULAR WEIGHT: 210.2346
SMILES: C1CCC2(CC1)C(C2(C#N)C#N)(C#N)C#N
Structure:
CAS RN: 24472-74-0
CAS Name: (3-nitrophenyl)-[4-[(3-nitrophenyl)-oxomethyl]-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]methanone
OPENEYE Name: [4-(3-nitrobenzoyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]-(3-nitrophenyl)methanone
IUPAC Name: [4-(3-nitrobenzoyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]-(3-nitrophenyl)methanone
SYSTEMATIC NAME: (3-nitrophenyl)-[4-(3-nitrophenyl)carbonyl-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-yl]methanone
MOLECULAR FORMULA: C16H8N4O8
MOLECULAR WEIGHT: 384.25672
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C2=NO[N+](=C2C(=O)C3=CC(=CC=C3)[N+](=O)[O-])[O-]
Structure:
CAS RN: 8064-66-2
CAS Name: acetic acid (17-acetyl-6,10,13-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl) ester; 17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
OPENEYE Name: (17-acetyl-6,10,13-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate; 17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
IUPAC Name: (17-acetyl-6,10,13-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate; 17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
SYSTEMATIC NAME: (17-ethanoyl-6,10,13-trimethyl-3-oxidanylidene-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl) ethanoate; 17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
MOLECULAR FORMULA: C44H56O6
MOLECULAR WEIGHT: 680.91184
SMILES: CC1=CC2C(CCC3(C2CCC3(C(=O)C)OC(=O)C)C)C4(C1=CC(=O)CC4)C.CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O
Structure:
CAS RN: 13281-06-6
CAS Name: acetic acid [(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-acetyloxy-10,13-dimethyl-7-oxo-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3S,8R,9S,10R,13S,14S,17R)-17-acetoxy-17-acetyl-10,13-dimethyl-7-oxo-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: [(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-acetyloxy-10,13-dimethyl-7-oxo-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [(3S,8R,9S,10R,13S,14S,17R)-17-acetyloxy-17-ethanoyl-10,13-dimethyl-7-oxidanylidene-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C25H34O6
MOLECULAR WEIGHT: 430.53386
SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)OC(=O)C
Structure:
CAS RN: 6087-13-4
CAS Name: 2-fluoropropanoic acid
OPENEYE Name: 2-fluoropropanoic acid
IUPAC Name: 2-fluoropropanoic acid
SYSTEMATIC NAME: 2-fluoranylpropanoic acid
MOLECULAR FORMULA: C3H5FO2
MOLECULAR WEIGHT: 92.069003
SMILES: CC(C(=O)O)F
Structure:
CAS RN: 1461-79-6
CAS Name: N-butyl-1-piperidinecarboxamide
OPENEYE Name: N-butylpiperidine-1-carboxamide
IUPAC Name: N-butylpiperidine-1-carboxamide
SYSTEMATIC NAME: N-butylpiperidine-1-carboxamide
MOLECULAR FORMULA: C10H20N2O
MOLECULAR WEIGHT: 184.2786
SMILES: CCCCNC(=O)N1CCCCC1
Structure:
CAS RN: 319440-43-2
CAS Name: N-[anilino(oxo)methyl]-N-(4-nitrophenyl)-1-piperidinecarboxamide
OPENEYE Name: N-(4-nitrophenyl)-N-(phenylcarbamoyl)piperidine-1-carboxamide
IUPAC Name: N-(4-nitrophenyl)-N-(phenylcarbamoyl)piperidine-1-carboxamide
SYSTEMATIC NAME: N-(4-nitrophenyl)-N-(phenylcarbamoyl)piperidine-1-carboxamide
MOLECULAR FORMULA: C19H20N4O4
MOLECULAR WEIGHT: 368.3865
SMILES: C1CCN(CC1)C(=O)N(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3
Structure:
CAS RN: 126297-39-0
CAS Name: (3S)-3-tert-butylbicyclo[2.2.1]heptane
OPENEYE Name: (2S)-2-tert-butylnorbornane
IUPAC Name: (3S)-3-tert-butylbicyclo[2.2.1]heptane
SYSTEMATIC NAME: (3S)-3-tert-butylbicyclo[2.2.1]heptane
MOLECULAR FORMULA: C11H20
MOLECULAR WEIGHT: 152.2765
SMILES: CC(C)(C)[C@H]1CC2CCC1C2
Structure:
CAS RN: 15846-26-1
CAS Name: 1,3,6,8-tetraphenylpyrene
OPENEYE Name: 1,3,6,8-tetraphenylpyrene
IUPAC Name: 1,3,6,8-tetraphenylpyrene
SYSTEMATIC NAME: 1,3,6,8-tetraphenylpyrene
MOLECULAR FORMULA: C40H26
MOLECULAR WEIGHT: 506.63444
SMILES: C1=CC=C(C=C1)C2=CC(=C3C=CC4=C(C=C(C5=C4C3=C2C=C5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8
Structure:
CAS RN: 92610-88-3
CAS Name: 2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)hydrazinylidene]propanoic acid
OPENEYE Name: 2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)hydrazono]propanoic acid
IUPAC Name: 2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)hydrazinylidene]propanoic acid
SYSTEMATIC NAME: 2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)hydrazinylidene]propanoic acid
MOLECULAR FORMULA: C8H10N4O3
MOLECULAR WEIGHT: 210.19
SMILES: CC1=CC(=O)N=C(N1)NN=C(C)C(=O)O
Structure:
CAS RN: 4576-48-1
CAS Name: 3-bicyclo[2.2.1]heptanone oxime
OPENEYE Name: norbornan-2-one oxime
IUPAC Name: N-(3-bicyclo[2.2.1]heptanylidene)hydroxylamine
SYSTEMATIC NAME: N-(3-bicyclo[2.2.1]heptanylidene)hydroxylamine
MOLECULAR FORMULA: C7H11NO
MOLECULAR WEIGHT: 125.16834
SMILES: C1CC2CC1CC2=NO
Structure:
CAS RN: 28491-58-9
CAS Name: 4-methyl-2,7-dihydro-1H-pyrazolo[3,4-b]pyridine-3,6-dione
OPENEYE Name: 4-methyl-2,7-dihydro-1H-pyrazolo[3,4-b]pyridine-3,6-dione
IUPAC Name: 4-methyl-2,7-dihydro-1H-pyrazolo[3,4-b]pyridine-3,6-dione
SYSTEMATIC NAME: 4-methyl-2,7-dihydro-1H-pyrazolo[3,4-b]pyridine-3,6-dione
MOLECULAR FORMULA: C7H7N3O2
MOLECULAR WEIGHT: 165.14938
SMILES: CC1=CC(=O)NC2=C1C(=O)NN2
Structure:
CAS RN: 85392-31-0
CAS Name: acetic acid (2,5-dimethyl-2-oxanyl)methyl ester
OPENEYE Name: (2,5-dimethyltetrahydropyran-2-yl)methyl acetate
IUPAC Name: (2,5-dimethyloxan-2-yl)methyl acetate
SYSTEMATIC NAME: (2,5-dimethyloxan-2-yl)methyl ethanoate
MOLECULAR FORMULA: C10H18O3
MOLECULAR WEIGHT: 186.24812
SMILES: CC1CCC(OC1)(C)COC(=O)C
Structure:
CAS RN: 40473-07-2
CAS Name: 2-bromo-6-methoxypyridine
OPENEYE Name: 2-bromo-6-methoxy-pyridine
IUPAC Name: 2-bromo-6-methoxypyridine
SYSTEMATIC NAME: 2-bromanyl-6-methoxy-pyridine
MOLECULAR FORMULA: C6H6BrNO
MOLECULAR WEIGHT: 188.02194
SMILES: COC1=NC(=CC=C1)Br
Structure:
CAS RN: 22812-91-5
CAS Name: 2-(pentylthio)ethanol
OPENEYE Name: 2-pentylsulfanylethanol
IUPAC Name: 2-pentylsulfanylethanol
SYSTEMATIC NAME: 2-pentylsulfanylethanol
MOLECULAR FORMULA: C7H16OS
MOLECULAR WEIGHT: 148.26634
SMILES: CCCCCSCCO
Structure:
CAS RN: 22966-82-1
CAS Name: 1,1-bis(2-chloroethyl)-3-(1-naphthalenyl)urea
OPENEYE Name: 1,1-bis(2-chloroethyl)-3-(1-naphthyl)urea
IUPAC Name: 1,1-bis(2-chloroethyl)-3-naphthalen-1-ylurea
SYSTEMATIC NAME: 1,1-bis(2-chloroethyl)-3-naphthalen-1-yl-urea
MOLECULAR FORMULA: C15H16Cl2N2O
MOLECULAR WEIGHT: 311.20634
SMILES: C1=CC=C2C(=C1)C=CC=C2NC(=O)N(CCCl)CCCl
Structure:
CAS RN: 4345-44-2
CAS Name: 5,7-ditert-butyl-2-(5,7-ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)-2,3-dihydro-1,3-benzoxazole
OPENEYE Name: 5,7-ditert-butyl-2-(5,7-ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)-2,3-dihydro-1,3-benzoxazole
IUPAC Name: 5,7-ditert-butyl-2-(5,7-ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)-2,3-dihydro-1,3-benzoxazole
SYSTEMATIC NAME: 5,7-ditert-butyl-2-(5,7-ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)-2,3-dihydro-1,3-benzoxazole
MOLECULAR FORMULA: C30H44N2O2
MOLECULAR WEIGHT: 464.68256
SMILES: CC(C)(C)C1=CC(=C2C(=C1)NC(O2)C3NC4=CC(=CC(=C4O3)C(C)(C)C)C(C)(C)C)C(C)(C)C
Structure:
CAS RN: 19341-46-9
CAS Name: 3,9-bis(1-piperidinyl)-2,4,8,10-tetraoxa-3$l^{5},9$l^{5}-diphosphaspiro[5.5]undecane 3,9-dioxide
OPENEYE Name: 3,9-bis(1-piperidyl)-2,4,8,10-tetraoxa-3$l^{5},9$l^{5}-diphosphaspiro[5.5]undecane 3,9-dioxide
IUPAC Name: 3,9-di(piperidin-1-yl)-2,4,8,10-tetraoxa-3$l^{5},9$l^{5}-diphosphaspiro[5.5]undecane 3,9-dioxide
SYSTEMATIC NAME: 3,9-di(piperidin-1-yl)-2,4,8,10-tetraoxa-3$l^{5},9$l^{5}-diphosphaspiro[5.5]undecane 3,9-dioxide
MOLECULAR FORMULA: C15H28N2O6P2
MOLECULAR WEIGHT: 394.340142
SMILES: C1CCN(CC1)P2(=O)OCC3(CO2)COP(=O)(OC3)N4CCCCC4
Structure:
CAS RN: 1942-78-5
CAS Name: 3,9-bis(1-piperidinyl)-2,4,8,10-tetraoxa-3$l^{5},9$l^{5}-diphosphaspiro[5.5]undecane 3,9-dioxide
OPENEYE Name: 3,9-bis(1-piperidyl)-2,4,8,10-tetraoxa-3$l^{5},9$l^{5}-diphosphaspiro[5.5]undecane 3,9-dioxide
IUPAC Name: 3,9-di(piperidin-1-yl)-2,4,8,10-tetraoxa-3$l^{5},9$l^{5}-diphosphaspiro[5.5]undecane 3,9-dioxide
SYSTEMATIC NAME: 3,9-di(piperidin-1-yl)-2,4,8,10-tetraoxa-3$l^{5},9$l^{5}-diphosphaspiro[5.5]undecane 3,9-dioxide
MOLECULAR FORMULA: C15H28N2O6P2
MOLECULAR WEIGHT: 394.340142
SMILES: C1CCN(CC1)P2(=O)OCC3(CO2)COP(=O)(OC3)N4CCCCC4
Structure:
CAS RN: 148044-30-8
CAS Name: 1,3-bis[(4-chlorophenyl)methyl]-2-(1-piperidinyl)-1,3,2$l^{5}-diazaphosphorinane 2-oxide
OPENEYE Name: 1,3-bis[(4-chlorophenyl)methyl]-2-(1-piperidyl)-1,3,2$l^{5}-diazaphosphinane 2-oxide
IUPAC Name: 1,3-bis[(4-chlorophenyl)methyl]-2-piperidin-1-yl-1,3,2$l^{5}-diazaphosphinane 2-oxide
SYSTEMATIC NAME: 1,3-bis[(4-chlorophenyl)methyl]-2-piperidin-1-yl-1,3,2$l^{5}-diazaphosphinane 2-oxide
MOLECULAR FORMULA: C22H28Cl2N3OP
MOLECULAR WEIGHT: 452.356981
SMILES: C1CCN(CC1)P2(=O)N(CCCN2CC3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)Cl
Structure:
CAS RN: 23145-80-4
CAS Name: 2-[(3S,5S,8S,9S,10S,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]acetic acid
OPENEYE Name: 2-[(3S,5S,8S,9S,10S,13R,14S,17R)-3-acetoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]acetic acid
IUPAC Name: 2-[(3S,5S,8S,9S,10S,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]acetic acid
SYSTEMATIC NAME: 2-[(3S,5S,8S,9S,10S,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanoic acid
MOLECULAR FORMULA: C23H36O4
MOLECULAR WEIGHT: 376.52954
SMILES: CC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4CC(=O)O)C)C
Structure:
CAS RN: 1228-72-4
CAS Name: (8R,9S,13S,14S,16R,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
OPENEYE Name: (8R,9S,13S,14S,16R,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
IUPAC Name: (8R,9S,13S,14S,16R,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
SYSTEMATIC NAME: (8R,9S,13S,14S,16R,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
MOLECULAR FORMULA: C18H24O3
MOLECULAR WEIGHT: 288.38136
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@H]2O)O)CCC4=C3C=CC(=C4)O
Structure:
CAS RN: 2726-50-3
CAS Name: 1-[6-hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl]ethanone
OPENEYE Name: 1-[6-hydroxy-2-(4-hydroxyphenyl)benzofuran-3-yl]ethanone
IUPAC Name: 1-[6-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-yl]ethanone
SYSTEMATIC NAME: 1-[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzofuran-3-yl]ethanone
MOLECULAR FORMULA: C16H12O4
MOLECULAR WEIGHT: 268.26408
SMILES: CC(=O)C1=C(OC2=C1C=CC(=C2)O)C3=CC=C(C=C3)O
Structure:
CAS RN: 4114-00-5
CAS Name: 5-(2,4-dioxo-1-pyrimidinyl)pentanoic acid
OPENEYE Name: 5-(2,4-dioxopyrimidin-1-yl)pentanoic acid
IUPAC Name: 5-(2,4-dioxopyrimidin-1-yl)pentanoic acid
SYSTEMATIC NAME: 5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]pentanoic acid
MOLECULAR FORMULA: C9H12N2O4
MOLECULAR WEIGHT: 212.20258
SMILES: C1=CN(C(=O)NC1=O)CCCCC(=O)O
Structure:
CAS RN: 2417-72-3
CAS Name: 4-(bromomethyl)benzoic acid methyl ester
OPENEYE Name: methyl 4-(bromomethyl)benzoate
IUPAC Name: methyl 4-(bromomethyl)benzoate
SYSTEMATIC NAME: methyl 4-(bromomethyl)benzoate
MOLECULAR FORMULA: C9H9BrO2
MOLECULAR WEIGHT: 229.07056
SMILES: COC(=O)C1=CC=C(C=C1)CBr
Structure:
CAS RN: 31842-86-1
CAS Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-5,6-bis(phenylhydrazo)pyrimidine-2,4-dione
OPENEYE Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5,6-bis(2-phenylhydrazino)pyrimidine-2,4-dione
IUPAC Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6-bis(2-phenylhydrazinyl)pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-5,6-bis(2-phenylhydrazinyl)pyrimidine-2,4-dione
MOLECULAR FORMULA: C21H24N6O6
MOLECULAR WEIGHT: 456.45186
SMILES: C1=CC=C(C=C1)NNC2=C(N(C(=O)NC2=O)C3C(C(C(O3)CO)O)O)NNC4=CC=CC=C4
Structure:
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