CAS RN: 22282-72-0
CAS Name: 2-oxo-1H-pyridine-4-carboxylic acid
OPENEYE Name: 2-oxo-1H-pyridine-4-carboxylic acid
IUPAC Name: 2-oxo-1H-pyridine-4-carboxylic acid
SYSTEMATIC NAME: 2-oxidanylidene-1H-pyridine-4-carboxylic acid
MOLECULAR FORMULA: C6H5NO3
MOLECULAR WEIGHT: 139.1088
SMILES: C1=CNC(=O)C=C1C(=O)O
Structure:
CAS RN: 28281-22-3
CAS Name: 2-(phenylmethyl)-1-azabicyclo[2.2.2]octan-3-one
OPENEYE Name: 2-benzylquinuclidin-3-one
IUPAC Name: 2-benzyl-1-azabicyclo[2.2.2]octan-3-one
SYSTEMATIC NAME: 2-(phenylmethyl)-1-azabicyclo[2.2.2]octan-3-one
MOLECULAR FORMULA: C14H17NO
MOLECULAR WEIGHT: 215.29088
SMILES: C1CN2CCC1C(=O)C2CC3=CC=CC=C3
Structure:
CAS RN: 27114-05-2
CAS Name: 1-[2-(9-anthracenyl)-1-oxoethyl]-4-piperidinecarboxylic acid
OPENEYE Name: 1-[2-(9-anthryl)acetyl]piperidine-4-carboxylic acid
IUPAC Name: 1-(2-anthracen-9-ylacetyl)piperidine-4-carboxylic acid
SYSTEMATIC NAME: 1-(2-anthracen-9-ylethanoyl)piperidine-4-carboxylic acid
MOLECULAR FORMULA: C22H21NO3
MOLECULAR WEIGHT: 347.40704
SMILES: C1CN(CCC1C(=O)O)C(=O)CC2=C3C=CC=CC3=CC4=CC=CC=C42
Structure:
CAS RN: 27114-04-1
CAS Name: 1-(1-oxo-2-phenylethyl)-4-piperidinecarboxylic acid
OPENEYE Name: 1-(2-phenylacetyl)piperidine-4-carboxylic acid
IUPAC Name: 1-(2-phenylacetyl)piperidine-4-carboxylic acid
SYSTEMATIC NAME: 1-(2-phenylethanoyl)piperidine-4-carboxylic acid
MOLECULAR FORMULA: C14H17NO3
MOLECULAR WEIGHT: 247.28968
SMILES: C1CN(CCC1C(=O)O)C(=O)CC2=CC=CC=C2
Structure:
CAS RN: 13466-41-6
CAS Name: 4-methyl-1H-pyridin-2-one
OPENEYE Name: 4-methyl-1H-pyridin-2-one
IUPAC Name: 4-methyl-1H-pyridin-2-one
SYSTEMATIC NAME: 4-methyl-1H-pyridin-2-one
MOLECULAR FORMULA: C6H7NO
MOLECULAR WEIGHT: 109.12588
SMILES: CC1=CC(=O)NC=C1
Structure:
CAS RN: 34197-06-3
CAS Name: 1,4-dithiane 1,1,4,4-tetraoxide
OPENEYE Name: 1,4-dithiane 1,1,4,4-tetraoxide
IUPAC Name: 1,4-dithiane 1,1,4,4-tetraoxide
SYSTEMATIC NAME: 1,4-dithiane 1,1,4,4-tetraoxide
MOLECULAR FORMULA: C4H8O4S2
MOLECULAR WEIGHT: 184.23392
SMILES: C1CS(=O)(=O)CCS1(=O)=O
Structure:
CAS RN: 16577-52-9
CAS Name: 2-(trifluoromethyl)-2-[2-[[2-(trifluoromethyl)-1,3-dithiolan-2-yl]thio]ethylthio]-1,3-dithiolane
OPENEYE Name: 2-(trifluoromethyl)-2-[2-[[2-(trifluoromethyl)-1,3-dithiolan-2-yl]sulfanyl]ethylsulfanyl]-1,3-dithiolane
IUPAC Name: 2-(trifluoromethyl)-2-[2-[[2-(trifluoromethyl)-1,3-dithiolan-2-yl]sulfanyl]ethylsulfanyl]-1,3-dithiolane
SYSTEMATIC NAME: 2-(trifluoromethyl)-2-[2-[[2-(trifluoromethyl)-1,3-dithiolan-2-yl]sulfanyl]ethylsulfanyl]-1,3-dithiolane
MOLECULAR FORMULA: C10H12F6S6
MOLECULAR WEIGHT: 438.582699
SMILES: C1CSC(S1)(C(F)(F)F)SCCSC2(SCCS2)C(F)(F)F
Structure:
CAS RN: 2734-78-3
CAS Name: 1,4,7,10,11,14-hexathiadispiro[4.0.4^{6}.4^{5}]tetradecane
OPENEYE Name: 1,4,7,10,11,14-hexathiadispiro[4.0.4^{6}.4^{5}]tetradecane
IUPAC Name: 1,4,7,10,11,14-hexathiadispiro[4.0.4^{6}.4^{5}]tetradecane
SYSTEMATIC NAME: 1,4,7,10,11,14-hexathiadispiro[4.0.4^{6}.4^{5}]tetradecane
MOLECULAR FORMULA: C8H12S6
MOLECULAR WEIGHT: 300.57088
SMILES: C1CSC2(S1)C3(SCCS3)SCCS2
Structure:
CAS RN: 39653-65-1
CAS Name: 1-methyl-2,6-diphenyl-4-piperidinone
OPENEYE Name: 1-methyl-2,6-diphenyl-piperidin-4-one
IUPAC Name: 1-methyl-2,6-diphenylpiperidin-4-one
SYSTEMATIC NAME: 1-methyl-2,6-diphenyl-piperidin-4-one
MOLECULAR FORMULA: C18H19NO
MOLECULAR WEIGHT: 265.34956
SMILES: CN1C(CC(=O)CC1C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 21843-10-7
CAS Name: 4-methylbenzenesulfonic acid [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-methylbenzenesulfonate
IUPAC Name: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-methylbenzenesulfonate
SYSTEMATIC NAME: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-methylbenzenesulfonate
MOLECULAR FORMULA: C34H54O3S
MOLECULAR WEIGHT: 542.85576
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2CCC3(C(C2)CCC4C3CCC5(C4CCC5C(C)CCCC(C)C)C)C
Structure:
CAS RN: 4706-78-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H28O7
MOLECULAR WEIGHT: 380.43212
SMILES: CC1C2CC(=O)OC3C24COC(C1O)(C4C5(C(C3)C(=CC(C5O)O)C)C)O
Structure:
CAS RN: 25514-29-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H28O11
MOLECULAR WEIGHT: 480.46182
SMILES: CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C)(OC5)C(=O)OC)O)O)C)O
Structure:
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