CAS RN: 91375-75-6
CAS Name: 4-chlorodecanoic acid methyl ester
OPENEYE Name: methyl 4-chlorodecanoate
IUPAC Name: methyl 4-chlorodecanoate
SYSTEMATIC NAME: methyl 4-chloranyldecanoate
MOLECULAR FORMULA: C11H21ClO2
MOLECULAR WEIGHT: 220.73624
SMILES: CCCCCCC(CCC(=O)OC)Cl
Structure:
CAS RN: 90940-93-5
CAS Name: 1-(6-benzo[b]pyrenylmethyl)pyridin-1-ium chloride
OPENEYE Name: 1-(benzo[b]pyren-6-ylmethyl)pyridin-1-ium chloride
IUPAC Name: 1-(benzo[b]pyren-6-ylmethyl)pyridin-1-ium chloride
SYSTEMATIC NAME: 1-(benzo[b]pyren-6-ylmethyl)pyridin-1-ium chloride
MOLECULAR FORMULA: C26H18ClN
MOLECULAR WEIGHT: 379.88082
SMILES: C1=CC=[N+](C=C1)CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C6=CC=CC=C62.[Cl-]
Structure:
CAS RN: 90317-74-1
CAS Name: 4-hydroxybenzo[a]anthracene-7,12-dione
OPENEYE Name: 4-hydroxybenzo[a]anthracene-7,12-dione
IUPAC Name: 4-hydroxybenzo[a]anthracene-7,12-dione
SYSTEMATIC NAME: 4-oxidanylbenzo[a]anthracene-7,12-dione
MOLECULAR FORMULA: C18H10O3
MOLECULAR WEIGHT: 274.2702
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C4=C(C=C3)C(=CC=C4)O
Structure:
CAS RN: 9020-13-7
CAS Name: 3-hydroxy-5-[(2-methoxy-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid [(2R,3R,10S,12S,13R,14S,17R)-17-[(2R)-5,6-dihydroxy-6-methylheptan-2-yl]-2,12-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] es
OPENEYE Name: [(2R,3R,10S,12S,13R,14S,17R)-17-[(1R)-4,5-dihydroxy-1,5-dimethyl-hexyl]-2,12-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-hydroxy-5-[(2-methoxy-2-oxo-ethyl)amino]-3-methyl-5-oxo-pentanoate
IUPAC Name: [(2R,3R,10S,12S,13R,14S,17R)-17-[(2R)-5,6-dihydroxy-6-methylheptan-2-yl]-2,12-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-hydroxy-5-[(2-methoxy-2-oxoethyl)amino]-3-methyl-5-oxopentanoate
SYSTEMATIC NAME: [(2R,3R,10S,12S,13R,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methyl-5,6-bis(oxidanyl)heptan-2-yl]-2,12-bis(oxidanyl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 5-[(2-methoxy-2-oxidanylidene-ethyl)amino]-3-methyl-3-oxidanyl-5-
MOLECULAR FORMULA: C39H65NO10
MOLECULAR WEIGHT: 707.9341
SMILES: C[C@H](CCC(C(C)(C)O)O)[C@H]1CC[C@@]2([C@@]1([C@H](CC3=C2CCC4[C@@]3(C[C@H]([C@@H](C4(C)C)OC(=O)CC(C)(CC(=O)NCC(=O)OC)O)O)C)O)C)C
Structure:
CAS RN: 80685-24-1
CAS Name: (1R,5R)-5-tert-butyl-2-phenyl-1-cyclohex-2-enol
OPENEYE Name: (1R,5R)-5-tert-butyl-2-phenyl-cyclohex-2-en-1-ol
IUPAC Name: (1R,5R)-5-tert-butyl-2-phenylcyclohex-2-en-1-ol
SYSTEMATIC NAME: (1R,5R)-5-tert-butyl-2-phenyl-cyclohex-2-en-1-ol
MOLECULAR FORMULA: C16H22O
MOLECULAR WEIGHT: 230.34528
SMILES: CC(C)(C)[C@@H]1CC=C([C@@H](C1)O)C2=CC=CC=C2
Structure:
CAS RN: 8067-84-3
CAS Name: (2R,5R)-5-tert-butyl-2-methoxy-2-phenyl-1-cyclohexanone
OPENEYE Name: (2R,5R)-5-tert-butyl-2-methoxy-2-phenyl-cyclohexanone
IUPAC Name: (2R,5R)-5-tert-butyl-2-methoxy-2-phenylcyclohexan-1-one
SYSTEMATIC NAME: (2R,5R)-5-tert-butyl-2-methoxy-2-phenyl-cyclohexan-1-one
MOLECULAR FORMULA: C17H24O2
MOLECULAR WEIGHT: 260.37126
SMILES: CC(C)(C)[C@@H]1CC[C@](C(=O)C1)(C2=CC=CC=C2)OC
Structure:
CAS RN: 80677-48-1
CAS Name: (1S,2S,4R)-4-tert-butyl-2-methoxy-1-phenyl-1-cyclohexanol
OPENEYE Name: (1S,2S,4R)-4-tert-butyl-2-methoxy-1-phenyl-cyclohexanol
IUPAC Name: (1S,2S,4R)-4-tert-butyl-2-methoxy-1-phenylcyclohexan-1-ol
SYSTEMATIC NAME: (1S,2S,4R)-4-tert-butyl-2-methoxy-1-phenyl-cyclohexan-1-ol
MOLECULAR FORMULA: C17H26O2
MOLECULAR WEIGHT: 262.38714
SMILES: CC(C)(C)[C@@H]1CC[C@@]([C@H](C1)OC)(C2=CC=CC=C2)O
Structure:
CAS RN: 8067-46-7
CAS Name: (1S,2S,5R)-5-tert-butyl-2-methoxy-2-phenyl-1-cyclohexanol
OPENEYE Name: (1S,2S,5R)-5-tert-butyl-2-methoxy-2-phenyl-cyclohexanol
IUPAC Name: (1S,2S,5R)-5-tert-butyl-2-methoxy-2-phenylcyclohexan-1-ol
SYSTEMATIC NAME: (1S,2S,5R)-5-tert-butyl-2-methoxy-2-phenyl-cyclohexan-1-ol
MOLECULAR FORMULA: C17H26O2
MOLECULAR WEIGHT: 262.38714
SMILES: CC(C)(C)[C@@H]1CC[C@@]([C@H](C1)O)(C2=CC=CC=C2)OC
Structure:
CAS RN: 8067-25-2
CAS Name: (1S,2S,5S)-5-tert-butyl-2-methoxy-2-phenyl-1-cyclohexanol
OPENEYE Name: (1S,2S,5S)-5-tert-butyl-2-methoxy-2-phenyl-cyclohexanol
IUPAC Name: (1S,2S,5S)-5-tert-butyl-2-methoxy-2-phenylcyclohexan-1-ol
SYSTEMATIC NAME: (1S,2S,5S)-5-tert-butyl-2-methoxy-2-phenyl-cyclohexan-1-ol
MOLECULAR FORMULA: C17H26O2
MOLECULAR WEIGHT: 262.38714
SMILES: CC(C)(C)[C@H]1CC[C@@]([C@H](C1)O)(C2=CC=CC=C2)OC
Structure:
CAS RN: 8067-07-0
CAS Name: (1R,2S)-2-methoxy-2-phenyl-1-cyclohexanol
OPENEYE Name: (1R,2S)-2-methoxy-2-phenyl-cyclohexanol
IUPAC Name: (1R,2S)-2-methoxy-2-phenylcyclohexan-1-ol
SYSTEMATIC NAME: (1R,2S)-2-methoxy-2-phenyl-cyclohexan-1-ol
MOLECULAR FORMULA: C13H18O2
MOLECULAR WEIGHT: 206.28082
SMILES: CO[C@@]1(CCCC[C@H]1O)C2=CC=CC=C2
Structure:
CAS RN: 8060-62-6
CAS Name: 4-[tert-butyl(dimethyl)silyl]oxybutanoic acid
OPENEYE Name: 4-[tert-butyl(dimethyl)silyl]oxybutanoic acid
IUPAC Name: 4-[tert-butyl(dimethyl)silyl]oxybutanoic acid
SYSTEMATIC NAME: 4-[tert-butyl(dimethyl)silyl]oxybutanoic acid
MOLECULAR FORMULA: C10H22O3Si
MOLECULAR WEIGHT: 218.36538
SMILES: CC(C)(C)[Si](C)(C)OCCCC(=O)O
Structure:
CAS RN: 79647-29-3
CAS Name: 2,2-dimethylpropanoic acid [2-[(2,2-dimethyl-1-oxopropoxy)methyl]-1-methyl-3-pyrrolyl]methyl ester
OPENEYE Name: [2-(2,2-dimethylpropanoyloxymethyl)-1-methyl-pyrrol-3-yl]methyl 2,2-dimethylpropanoate
IUPAC Name: [2-(2,2-dimethylpropanoyloxymethyl)-1-methylpyrrol-3-yl]methyl 2,2-dimethylpropanoate
SYSTEMATIC NAME: [2-(2,2-dimethylpropanoyloxymethyl)-1-methyl-pyrrol-3-yl]methyl 2,2-dimethylpropanoate
MOLECULAR FORMULA: C17H27NO4
MOLECULAR WEIGHT: 309.40058
SMILES: CC(C)(C)C(=O)OCC1=C(N(C=C1)C)COC(=O)C(C)(C)C
Structure:
CAS RN: 79386-01-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H22O8
MOLECULAR WEIGHT: 354.35178
SMILES: CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3([C@@H]([C@H]([C@H](C34CO4)O2)O)O)C)COC(=O)C
Structure:
CAS RN: 78232-38-9
CAS Name: (4-chlorophenyl)-(3-methyl-2-benzofuranyl)methanone
OPENEYE Name: (4-chlorophenyl)-(3-methylbenzofuran-2-yl)methanone
IUPAC Name: (4-chlorophenyl)-(3-methyl-1-benzofuran-2-yl)methanone
SYSTEMATIC NAME: (4-chlorophenyl)-(3-methyl-1-benzofuran-2-yl)methanone
MOLECULAR FORMULA: C16H11ClO2
MOLECULAR WEIGHT: 270.71034
SMILES: CC1=C(OC2=CC=CC=C12)C(=O)C3=CC=C(C=C3)Cl
Structure:
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