Tuesday, September 4, 2012

http://ChemLookup.com Compounds




CAS RN: 91177-60-5
CAS Name: 1,4-bis(hydroxymethyl)cyclohexane-1,4-diol
OPENEYE Name: 1,4-bis(hydroxymethyl)cyclohexane-1,4-diol
IUPAC Name: 1,4-bis(hydroxymethyl)cyclohexane-1,4-diol
SYSTEMATIC NAME: 1,4-bis(hydroxymethyl)cyclohexane-1,4-diol
MOLECULAR FORMULA: C8H16O4
MOLECULAR WEIGHT: 176.21024
SMILES: C1CC(CCC1(CO)O)(CO)O
Structure:

CAS RN: 34924-88-4
CAS Name: N-(4-methyl-1-piperazinyl)acetamide
OPENEYE Name: N-(4-methylpiperazin-1-yl)acetamide
IUPAC Name: N-(4-methylpiperazin-1-yl)acetamide
SYSTEMATIC NAME: N-(4-methylpiperazin-1-yl)ethanamide
MOLECULAR FORMULA: C7H15N3O
MOLECULAR WEIGHT: 157.2135
SMILES: CC(=O)NN1CCN(CC1)C
Structure:

CAS RN: 5651-49-0
CAS Name: 1'-spiro[cyclohexane-1,3'-isobenzofuran]one
OPENEYE Name: spiro[cyclohexane-1,3'-isobenzofuran]-1'-one
IUPAC Name: spiro[2-benzofuran-3,1'-cyclohexane]-1-one
SYSTEMATIC NAME: spiro[2-benzofuran-3,1'-cyclohexane]-1-one
MOLECULAR FORMULA: C13H14O2
MOLECULAR WEIGHT: 202.24906
SMILES: C1CCC2(CC1)C3=CC=CC=C3C(=O)O2
Structure:

CAS RN: 82111-99-7
CAS Name: 1'-spiro[fluorene-9,3'-isobenzofuran]one
OPENEYE Name: spiro[fluorene-9,3'-isobenzofuran]-1'-one
IUPAC Name: spiro[2-benzofuran-3,9'-fluorene]-1-one
SYSTEMATIC NAME: spiro[2-benzofuran-3,9'-fluorene]-1-one
MOLECULAR FORMULA: C20H12O2
MOLECULAR WEIGHT: 284.30808
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C24C5=CC=CC=C5C(=O)O4
Structure:

CAS RN: 14761-82-1
CAS Name: 2-[2-[(dimethylamino)methyl]phenyl]ethanol
OPENEYE Name: 2-[2-[(dimethylamino)methyl]phenyl]ethanol
IUPAC Name: 2-[2-[(dimethylamino)methyl]phenyl]ethanol
SYSTEMATIC NAME: 2-[2-[(dimethylamino)methyl]phenyl]ethanol
MOLECULAR FORMULA: C11H17NO
MOLECULAR WEIGHT: 179.25878
SMILES: CN(C)CC1=CC=CC=C1CCO
Structure:

CAS RN: 37545-92-9
CAS Name: 1-phenyl-2-oxaspiro[2.5]octane
OPENEYE Name: 1-phenyl-2-oxaspiro[2.5]octane
IUPAC Name: 1-phenyl-2-oxaspiro[2.5]octane
SYSTEMATIC NAME: 1-phenyl-2-oxaspiro[2.5]octane
MOLECULAR FORMULA: C13H16O
MOLECULAR WEIGHT: 188.26554
SMILES: C1CCC2(CC1)C(O2)C3=CC=CC=C3
Structure:

CAS RN: 54518-50-2
CAS Name: 1-[3,5-bis(1-oxo-3-phenylpropyl)phenyl]-3-phenyl-1-propanone
OPENEYE Name: 1-[3,5-bis(3-phenylpropanoyl)phenyl]-3-phenyl-propan-1-one
IUPAC Name: 1-[3,5-bis(3-phenylpropanoyl)phenyl]-3-phenylpropan-1-one
SYSTEMATIC NAME: 1-[3,5-bis(3-phenylpropanoyl)phenyl]-3-phenyl-propan-1-one
MOLECULAR FORMULA: C33H30O3
MOLECULAR WEIGHT: 474.5895
SMILES: C1=CC=C(C=C1)CCC(=O)C2=CC(=CC(=C2)C(=O)CCC3=CC=CC=C3)C(=O)CCC4=CC=CC=C4
Structure:

CAS RN: 39493-99-7
CAS Name: (3-methoxy-2-naphthalenyl)methanol
OPENEYE Name: (3-methoxy-2-naphthyl)methanol
IUPAC Name: (3-methoxynaphthalen-2-yl)methanol
SYSTEMATIC NAME: (3-methoxynaphthalen-2-yl)methanol
MOLECULAR FORMULA: C12H12O2
MOLECULAR WEIGHT: 188.22248
SMILES: COC1=CC2=CC=CC=C2C=C1CO
Structure:

CAS RN: 92956-97-3
CAS Name: 1-(5-chloro-2-hydroxyphenyl)-3-(2-furanyl)propane-1,3-dione
OPENEYE Name: 1-(5-chloro-2-hydroxy-phenyl)-3-(2-furyl)propane-1,3-dione
IUPAC Name: 1-(5-chloro-2-hydroxyphenyl)-3-(furan-2-yl)propane-1,3-dione
SYSTEMATIC NAME: 1-(5-chloranyl-2-oxidanyl-phenyl)-3-(furan-2-yl)propane-1,3-dione
MOLECULAR FORMULA: C13H9ClO4
MOLECULAR WEIGHT: 264.66116
SMILES: C1=COC(=C1)C(=O)CC(=O)C2=C(C=CC(=C2)Cl)O
Structure:

CAS RN: 92957-00-1
CAS Name: 1-(5-chloro-2-hydroxyphenyl)-3-thiophen-2-ylpropane-1,3-dione
OPENEYE Name: 1-(5-chloro-2-hydroxy-phenyl)-3-(2-thienyl)propane-1,3-dione
IUPAC Name: 1-(5-chloro-2-hydroxyphenyl)-3-thiophen-2-ylpropane-1,3-dione
SYSTEMATIC NAME: 1-(5-chloranyl-2-oxidanyl-phenyl)-3-thiophen-2-yl-propane-1,3-dione
MOLECULAR FORMULA: C13H9ClO3S
MOLECULAR WEIGHT: 280.72676
SMILES: C1=CSC(=C1)C(=O)CC(=O)C2=C(C=CC(=C2)Cl)O
Structure:

CAS RN: 37558-19-3
CAS Name: 1-butoxy-4-[2-(4-butoxyphenyl)propan-2-yl]benzene
OPENEYE Name: 1-butoxy-4-[1-(4-butoxyphenyl)-1-methyl-ethyl]benzene
IUPAC Name: 1-butoxy-4-[2-(4-butoxyphenyl)propan-2-yl]benzene
SYSTEMATIC NAME: 1-butoxy-4-[2-(4-butoxyphenyl)propan-2-yl]benzene
MOLECULAR FORMULA: C23H32O2
MOLECULAR WEIGHT: 340.49898
SMILES: CCCCOC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OCCCC
Structure:

CAS RN: 337-03-1
CAS Name: (8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,9R,10S,11S,13S,14S,17R)-17-ethanoyl-9-fluoranyl-10,13-dimethyl-11,17-bis(oxidanyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H29FO4
MOLECULAR WEIGHT: 364.450963
SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)CC[C@@]43C)F)O)C)O
Structure:

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