CAS RN: 114687-98-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H20O7
MOLECULAR WEIGHT: 312.3151
SMILES: C[C@@H]1CC[C@]2(C13C[C@@H]([C@@]4([C@]2(COC4=O)C)O)OC(=O)[C@@H]3O)O
Structure:
CAS RN: 111858-68-5
CAS Name: N-(4-methylphenyl)-N-[[(3S,4R,5R)-2,3,4,5-tetrahydroxy-2-oxanyl]methyl]nitrous amide
OPENEYE Name: N-(p-tolyl)-N-[[(3S,4R,5R)-2,3,4,5-tetrahydroxytetrahydropyran-2-yl]methyl]nitrous amide
IUPAC Name: N-(4-methylphenyl)-N-[[(3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl]nitrous amide
SYSTEMATIC NAME: N-(4-methylphenyl)-N-[[(3S,4R,5R)-2,3,4,5-tetrakis(oxidanyl)oxan-2-yl]methyl]nitrous amide
MOLECULAR FORMULA: C13H18N2O6
MOLECULAR WEIGHT: 298.29182
SMILES: CC1=CC=C(C=C1)N(CC2([C@H]([C@@H]([C@@H](CO2)O)O)O)O)N=O
Structure:
CAS RN: 111858-66-3
CAS Name: N-[2-(1H-indol-3-yl)ethyl]-N-[(3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]nitrous amide
OPENEYE Name: N-[2-(1H-indol-3-yl)ethyl]-N-[(3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]nitrous amide
IUPAC Name: N-[2-(1H-indol-3-yl)ethyl]-N-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]nitrous amide
SYSTEMATIC NAME: N-[2-(1H-indol-3-yl)ethyl]-N-[(3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]nitrous amide
MOLECULAR FORMULA: C15H19N3O5
MOLECULAR WEIGHT: 321.32846
SMILES: C1[C@H]([C@@H]([C@H](C(O1)N(CCC2=CNC3=CC=CC=C32)N=O)O)O)O
Structure:
CAS RN: 111858-64-1
CAS Name: 4-[nitroso-[(3S,4R,5R)-3,4,5-trihydroxy-2-oxanyl]amino]benzoic acid
OPENEYE Name: 4-[nitroso-[(3S,4R,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]amino]benzoic acid
IUPAC Name: 4-[nitroso-[(3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzoic acid
SYSTEMATIC NAME: 4-[nitroso-[(3S,4R,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]amino]benzoic acid
MOLECULAR FORMULA: C12H14N2O7
MOLECULAR WEIGHT: 298.24876
SMILES: C1[C@H]([C@H]([C@@H](C(O1)N(C2=CC=C(C=C2)C(=O)O)N=O)O)O)O
Structure:
CAS RN: 111771-11-0
CAS Name: 11-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene
OPENEYE Name: 11-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene
IUPAC Name: 11-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene
SYSTEMATIC NAME: 11-fluoranyl-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene
MOLECULAR FORMULA: C20H19F
MOLECULAR WEIGHT: 278.363263
SMILES: CC1=C2C=CC3=C(C2=C(C4=C1C=CC=C4F)C)CCCC3
Structure:
CAS RN: 111771-10-9
CAS Name: 9-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene
OPENEYE Name: 9-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene
IUPAC Name: 9-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene
SYSTEMATIC NAME: 9-fluoranyl-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene
MOLECULAR FORMULA: C20H19F
MOLECULAR WEIGHT: 278.363263
SMILES: CC1=C2C=CC(=CC2=C(C3=C1C4=C(CCCC4)C=C3)C)F
Structure:
CAS RN: 111771-09-6
CAS Name: 8-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene
OPENEYE Name: 8-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene
IUPAC Name: 8-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene
SYSTEMATIC NAME: 8-fluoranyl-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene
MOLECULAR FORMULA: C20H19F
MOLECULAR WEIGHT: 278.363263
SMILES: CC1=C2C=CC3=C(C2=C(C4=C1C(=CC=C4)F)C)CCCC3
Structure:
CAS RN: 110958-19-5
CAS Name: (5R)-5-[oxo(1-piperidinyl)methyl]-2-pyrrolidinone
OPENEYE Name: (5R)-5-(piperidine-1-carbonyl)pyrrolidin-2-one
IUPAC Name: (5R)-5-(piperidine-1-carbonyl)pyrrolidin-2-one
SYSTEMATIC NAME: (5R)-5-piperidin-1-ylcarbonylpyrrolidin-2-one
MOLECULAR FORMULA: C10H16N2O2
MOLECULAR WEIGHT: 196.24624
SMILES: C1CCN(CC1)C(=O)[C@H]2CCC(=O)N2
Structure:
CAS RN: 110766-29-5
CAS Name: 3-(4-aminophenyl)-4-(hydroxymethyl)-4,5-dihydro-1H-pyridazin-6-one
OPENEYE Name: 3-(4-aminophenyl)-4-(hydroxymethyl)-4,5-dihydro-1H-pyridazin-6-one
IUPAC Name: 3-(4-aminophenyl)-4-(hydroxymethyl)-4,5-dihydro-1H-pyridazin-6-one
SYSTEMATIC NAME: 3-(4-aminophenyl)-4-(hydroxymethyl)-4,5-dihydro-1H-pyridazin-6-one
MOLECULAR FORMULA: C11H13N3O2
MOLECULAR WEIGHT: 219.23982
SMILES: C1C(C(=NNC1=O)C2=CC=C(C=C2)N)CO
Structure:
CAS RN: 110283-79-9
CAS Name: 1-[2-[bis[4-(trifluoromethyl)phenyl]methoxy]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
OPENEYE Name: 1-[2-[bis[4-(trifluoromethyl)phenyl]methoxy]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
IUPAC Name: 1-[2-[bis[4-(trifluoromethyl)phenyl]methoxy]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
SYSTEMATIC NAME: 1-[2-[bis[4-(trifluoromethyl)phenyl]methoxy]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
MOLECULAR FORMULA: C23H21F6NO3
MOLECULAR WEIGHT: 473.408159
SMILES: C1CN(CC(=C1)C(=O)O)CCOC(C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F
Structure:
CAS RN: 110283-66-4
CAS Name: 1-[2-[bis[4-(trifluoromethyl)phenyl]methoxy]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid hydrochloride
OPENEYE Name: 1-[2-[bis[4-(trifluoromethyl)phenyl]methoxy]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid hydrochloride
IUPAC Name: 1-[2-[bis[4-(trifluoromethyl)phenyl]methoxy]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid hydrochloride
SYSTEMATIC NAME: 1-[2-[bis[4-(trifluoromethyl)phenyl]methoxy]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid hydrochloride
MOLECULAR FORMULA: C23H22ClF6NO3
MOLECULAR WEIGHT: 509.869099
SMILES: C1CN(CC(=C1)C(=O)O)CCOC(C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F.Cl
Structure:
CAS RN: 107089-77-0
CAS Name: 3-chloro-4-ethyl-1$l^{6},2,4-benzothiadiazine 1,1-dioxide
OPENEYE Name: 3-chloro-4-ethyl-1$l^{6},2,4-benzothiadiazine 1,1-dioxide
IUPAC Name: 3-chloro-4-ethyl-1$l^{6},2,4-benzothiadiazine 1,1-dioxide
SYSTEMATIC NAME: 3-chloranyl-4-ethyl-1$l^{6},2,4-benzothiadiazine 1,1-dioxide
MOLECULAR FORMULA: C9H9ClN2O2S
MOLECULAR WEIGHT: 244.69796
SMILES: CCN1C2=CC=CC=C2S(=O)(=O)N=C1Cl
Structure:
CAS RN: 107089-76-9
CAS Name: 3-chloro-4-methyl-1$l^{6},2,4-benzothiadiazine 1,1-dioxide
OPENEYE Name: 3-chloro-4-methyl-1$l^{6},2,4-benzothiadiazine 1,1-dioxide
IUPAC Name: 3-chloro-4-methyl-1$l^{6},2,4-benzothiadiazine 1,1-dioxide
SYSTEMATIC NAME: 3-chloranyl-4-methyl-1$l^{6},2,4-benzothiadiazine 1,1-dioxide
MOLECULAR FORMULA: C8H7ClN2O2S
MOLECULAR WEIGHT: 230.67138
SMILES: CN1C2=CC=CC=C2S(=O)(=O)N=C1Cl
Structure:
CAS RN: 106449-56-3
CAS Name: 6-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-1H-purin-2-one
OPENEYE Name: 6-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-purin-2-one
IUPAC Name: 6-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-2-one
SYSTEMATIC NAME: 6-azanyl-9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-1H-purin-2-one
MOLECULAR FORMULA: C10H13N5O4
MOLECULAR WEIGHT: 267.24132
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(NC(=O)N=C32)N)CO)O
Structure:
CAS RN: 106065-10-5
CAS Name: benzoic acid 3-[1-(3-methoxypropoxy)propan-2-yloxy]propyl ester
OPENEYE Name: 3-[2-(3-methoxypropoxy)-1-methyl-ethoxy]propyl benzoate
IUPAC Name: 3-[1-(3-methoxypropoxy)propan-2-yloxy]propyl benzoate
SYSTEMATIC NAME: 3-[1-(3-methoxypropoxy)propan-2-yloxy]propyl benzoate
MOLECULAR FORMULA: C17H26O5
MOLECULAR WEIGHT: 310.38534
SMILES: CC(COCCCOC)OCCCOC(=O)C1=CC=CC=C1
Structure:
CAS RN: 101710-74-1
CAS Name: 2-(4-chloro-2-methylphenoxy)propanoic acid; 2-(2,4-dichlorophenoxy)acetic acid; 2-(2-hydroxyethylamino)ethanol
OPENEYE Name: 2-(4-chloro-2-methyl-phenoxy)propanoic acid; 2-(2,4-dichlorophenoxy)acetic acid; 2-(2-hydroxyethylamino)ethanol
IUPAC Name: 2-(4-chloro-2-methylphenoxy)propanoic acid; 2-(2,4-dichlorophenoxy)acetic acid; 2-(2-hydroxyethylamino)ethanol
SYSTEMATIC NAME: 2-[2,4-bis(chloranyl)phenoxy]ethanoic acid; 2-(4-chloranyl-2-methyl-phenoxy)propanoic acid; 2-(2-hydroxyethylamino)ethanol
MOLECULAR FORMULA: C26H39Cl3N2O10
MOLECULAR WEIGHT: 645.95426
SMILES: CC1=C(C=CC(=C1)Cl)OC(C)C(=O)O.C1=CC(=C(C=C1Cl)Cl)OCC(=O)O.C(CO)NCCO.C(CO)NCCO
Structure:
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