CAS RN: 4397-01-7
CAS Name: cyclopentyl(phenyl)methanol
OPENEYE Name: cyclopentyl(phenyl)methanol
IUPAC Name: cyclopentyl(phenyl)methanol
SYSTEMATIC NAME: cyclopentyl(phenyl)methanol
MOLECULAR FORMULA: C12H16O
MOLECULAR WEIGHT: 176.25484
SMILES: C1CCC(C1)C(C2=CC=CC=C2)O
Structure:
CAS RN: 90854-88-9
CAS Name: 3-(dipropylamino)-2,2-dimethyl-1-propanol
OPENEYE Name: 3-(dipropylamino)-2,2-dimethyl-propan-1-ol
IUPAC Name: 3-(dipropylamino)-2,2-dimethylpropan-1-ol
SYSTEMATIC NAME: 3-(dipropylamino)-2,2-dimethyl-propan-1-ol
MOLECULAR FORMULA: C11H25NO
MOLECULAR WEIGHT: 187.3223
SMILES: CCCN(CCC)CC(C)(C)CO
Structure:
CAS RN: 5652-58-4
CAS Name: 2-(2-methyl-1-oxopropyl)benzoic acid
OPENEYE Name: 2-(2-methylpropanoyl)benzoic acid
IUPAC Name: 2-(2-methylpropanoyl)benzoic acid
SYSTEMATIC NAME: 2-(2-methylpropanoyl)benzoic acid
MOLECULAR FORMULA: C11H12O3
MOLECULAR WEIGHT: 192.21118
SMILES: CC(C)C(=O)C1=CC=CC=C1C(=O)O
Structure:
CAS RN: 13540-66-4
CAS Name: 3,3-dimethyl-4-phenylbutanoic acid
OPENEYE Name: 3,3-dimethyl-4-phenyl-butanoic acid
IUPAC Name: 3,3-dimethyl-4-phenylbutanoic acid
SYSTEMATIC NAME: 3,3-dimethyl-4-phenyl-butanoic acid
MOLECULAR FORMULA: C12H16O2
MOLECULAR WEIGHT: 192.25424
SMILES: CC(C)(CC1=CC=CC=C1)CC(=O)O
Structure:
CAS RN: 20431-81-6
CAS Name: 2-(methylamino)-1-cyclohexanol
OPENEYE Name: 2-(methylamino)cyclohexanol
IUPAC Name: 2-(methylamino)cyclohexan-1-ol
SYSTEMATIC NAME: 2-(methylamino)cyclohexan-1-ol
MOLECULAR FORMULA: C7H15NO
MOLECULAR WEIGHT: 129.2001
SMILES: CNC1CCCCC1O
Structure:
CAS RN: 4356-69-8
CAS Name: 1-methoxy-4-[1-(4-methoxyphenyl)ethenyl]benzene
OPENEYE Name: 1-methoxy-4-[1-(4-methoxyphenyl)vinyl]benzene
IUPAC Name: 1-methoxy-4-[1-(4-methoxyphenyl)ethenyl]benzene
SYSTEMATIC NAME: 1-methoxy-4-[1-(4-methoxyphenyl)ethenyl]benzene
MOLECULAR FORMULA: C16H16O2
MOLECULAR WEIGHT: 240.29704
SMILES: COC1=CC=C(C=C1)C(=C)C2=CC=C(C=C2)OC
Structure:
CAS RN: 69217-73-8
CAS Name: 7-tert-butyl-10-spiro[4.5]decanone
OPENEYE Name: 7-tert-butylspiro[4.5]decan-10-one
IUPAC Name: 7-tert-butylspiro[4.5]decan-10-one
SYSTEMATIC NAME: 7-tert-butylspiro[4.5]decan-10-one
MOLECULAR FORMULA: C14H24O
MOLECULAR WEIGHT: 208.33976
SMILES: CC(C)(C)C1CCC(=O)C2(C1)CCCC2
Structure:
CAS RN: 40213-64-7
CAS Name: 4-bicyclo[4.1.0]heptanol
OPENEYE Name: norcaran-3-ol
IUPAC Name: bicyclo[4.1.0]heptan-4-ol
SYSTEMATIC NAME: bicyclo[4.1.0]heptan-4-ol
MOLECULAR FORMULA: C7H12O
MOLECULAR WEIGHT: 112.16958
SMILES: C1CC(CC2C1C2)O
Structure:
CAS RN: 28145-35-9
CAS Name: 4-(2-chloroethyl)phenol
OPENEYE Name: 4-(2-chloroethyl)phenol
IUPAC Name: 4-(2-chloroethyl)phenol
SYSTEMATIC NAME: 4-(2-chloroethyl)phenol
MOLECULAR FORMULA: C8H9ClO
MOLECULAR WEIGHT: 156.60946
SMILES: C1=CC(=CC=C1CCCl)O
Structure:
CAS RN: 33209-64-2
CAS Name: 3,3-dimethyl-4-(4-nitrophenyl)butanoic acid
OPENEYE Name: 3,3-dimethyl-4-(4-nitrophenyl)butanoic acid
IUPAC Name: 3,3-dimethyl-4-(4-nitrophenyl)butanoic acid
SYSTEMATIC NAME: 3,3-dimethyl-4-(4-nitrophenyl)butanoic acid
MOLECULAR FORMULA: C12H15NO4
MOLECULAR WEIGHT: 237.2518
SMILES: CC(C)(CC1=CC=C(C=C1)[N+](=O)[O-])CC(=O)O
Structure:
CAS RN: 18321-36-3
CAS Name: 2-methylbut-3-en-2-ylbenzene
OPENEYE Name: 1,1-dimethylallylbenzene
IUPAC Name: 2-methylbut-3-en-2-ylbenzene
SYSTEMATIC NAME: 2-methylbut-3-en-2-ylbenzene
MOLECULAR FORMULA: C11H14
MOLECULAR WEIGHT: 146.22886
SMILES: CC(C)(C=C)C1=CC=CC=C1
Structure:
CAS RN: 17648-05-4
CAS Name: (2,5-dimethyl-5-phenylhexan-2-yl)benzene
OPENEYE Name: (1,1,4-trimethyl-4-phenyl-pentyl)benzene
IUPAC Name: (2,5-dimethyl-5-phenylhexan-2-yl)benzene
SYSTEMATIC NAME: (2,5-dimethyl-5-phenyl-hexan-2-yl)benzene
MOLECULAR FORMULA: C20H26
MOLECULAR WEIGHT: 266.42044
SMILES: CC(C)(CCC(C)(C)C1=CC=CC=C1)C2=CC=CC=C2
Structure:
CAS RN: 62163-19-3
CAS Name: 1-ethoxypropylbenzene
OPENEYE Name: 1-ethoxypropylbenzene
IUPAC Name: 1-ethoxypropylbenzene
SYSTEMATIC NAME: 1-ethoxypropylbenzene
MOLECULAR FORMULA: C11H16O
MOLECULAR WEIGHT: 164.24414
SMILES: CCC(C1=CC=CC=C1)OCC
Structure:
CAS RN: 944-42-3
CAS Name: 4,5,6,7-tetramethyl-2,3-dihydro-1H-inden-1-ol
OPENEYE Name: 4,5,6,7-tetramethylindan-1-ol
IUPAC Name: 4,5,6,7-tetramethyl-2,3-dihydro-1H-inden-1-ol
SYSTEMATIC NAME: 4,5,6,7-tetramethyl-2,3-dihydro-1H-inden-1-ol
MOLECULAR FORMULA: C13H18O
MOLECULAR WEIGHT: 190.28142
SMILES: CC1=C(C2=C(C(CC2)O)C(=C1C)C)C
Structure:
CAS RN: 6912-38-5
CAS Name: N-(2-hydroxyphenyl)methanesulfonamide
OPENEYE Name: N-(2-hydroxyphenyl)methanesulfonamide
IUPAC Name: N-(2-hydroxyphenyl)methanesulfonamide
SYSTEMATIC NAME: N-(2-hydroxyphenyl)methanesulfonamide
MOLECULAR FORMULA: C7H9NO3S
MOLECULAR WEIGHT: 187.21626
SMILES: CS(=O)(=O)NC1=CC=CC=C1O
Structure:
CAS RN: 7130-21-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H16O2
MOLECULAR WEIGHT: 312.36124
SMILES: C1COC2=C(C3=CC=CC=C3C=C2)C4=C(O1)C=CC5=CC=CC=C54
Structure:
CAS RN: 16325-71-6
CAS Name: 2-[[1-[2-(2-hydroxyethoxy)-1-naphthalenyl]-2-naphthalenyl]oxy]ethanol
OPENEYE Name: 2-[[1-[2-(2-hydroxyethoxy)-1-naphthyl]-2-naphthyl]oxy]ethanol
IUPAC Name: 2-[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol
SYSTEMATIC NAME: 2-[1-[2-(2-hydroxyethyloxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol
MOLECULAR FORMULA: C24H22O4
MOLECULAR WEIGHT: 374.42908
SMILES: C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)OCCO)OCCO
Structure:
CAS RN: 24018-00-6
CAS Name: [2-(2-benzoylphenyl)phenyl]-phenylmethanone
OPENEYE Name: [2-(2-benzoylphenyl)phenyl]-phenyl-methanone
IUPAC Name: [2-(2-benzoylphenyl)phenyl]-phenylmethanone
SYSTEMATIC NAME: phenyl-[2-[2-(phenylcarbonyl)phenyl]phenyl]methanone
MOLECULAR FORMULA: C26H18O2
MOLECULAR WEIGHT: 362.41992
SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)C4=CC=CC=C4
Structure:
CAS RN: 87338-18-9
CAS Name: 4-methyl-N-[[3-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide
OPENEYE Name: 4-methyl-N-[[3-[(p-tolylsulfonylamino)methyl]phenyl]methyl]benzenesulfonamide
IUPAC Name: 4-methyl-N-[[3-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide
SYSTEMATIC NAME: 4-methyl-N-[[3-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide
MOLECULAR FORMULA: C22H24N2O4S2
MOLECULAR WEIGHT: 444.56696
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC(=CC=C2)CNS(=O)(=O)C3=CC=C(C=C3)C
Structure:
CAS RN: 42062-55-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C31H34O7
MOLECULAR WEIGHT: 518.59746
SMILES: C1COCCOCCOC2=C(C3=CC=CC=C3C=C2CO)C4=C(C=CC5=CC=CC=C54)OCCOCCO1
Structure:
CAS RN: 56187-04-3
CAS Name: 4-methyl-N-[2-[(4-methylphenyl)sulfonyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]benzenesulfonamide
OPENEYE Name: 4-methyl-N-[2-[p-tolylsulfonyl-[2-(p-tolylsulfonylamino)ethyl]amino]ethyl]benzenesulfonamide
IUPAC Name: 4-methyl-N-[2-[(4-methylphenyl)sulfonyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]benzenesulfonamide
SYSTEMATIC NAME: 4-methyl-N-[2-[(4-methylphenyl)sulfonyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]benzenesulfonamide
MOLECULAR FORMULA: C25H31N3O6S3
MOLECULAR WEIGHT: 565.72514
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCCN(CCNS(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C
Structure:
CAS RN: 41024-94-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C48H40O6
MOLECULAR WEIGHT: 712.8276
SMILES: C1COC2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)OCCOCCOC6=C(C7=CC=CC=C7C=C6)C8=C(C=CC9=CC=CC=C98)OCCO1
Structure:
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