CAS RN: 114724-45-7
CAS Name: 2-[2-(2-phenyl-4-thiazolyl)phenyl]acetic acid
OPENEYE Name: 2-[2-(2-phenylthiazol-4-yl)phenyl]acetic acid
IUPAC Name: 2-[2-(2-phenyl-1,3-thiazol-4-yl)phenyl]acetic acid
SYSTEMATIC NAME: 2-[2-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethanoic acid
MOLECULAR FORMULA: C17H13NO2S
MOLECULAR WEIGHT: 295.35562
SMILES: C1=CC=C(C=C1)C2=NC(=CS2)C3=CC=CC=C3CC(=O)O
Structure:
CAS RN: 114724-42-4
CAS Name: 2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetic acid
OPENEYE Name: 2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetic acid
IUPAC Name: 2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetic acid
SYSTEMATIC NAME: 2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]ethanoic acid
MOLECULAR FORMULA: C16H12N2O3
MOLECULAR WEIGHT: 280.27808
SMILES: C1=CC=C(C=C1)C2=NOC(=N2)C3=CC=CC=C3CC(=O)O
Structure:
CAS RN: 1147-23-5
CAS Name: 2-[2-(4-phenyl-2-oxazolyl)phenyl]acetic acid
OPENEYE Name: 2-[2-(4-phenyloxazol-2-yl)phenyl]acetic acid
IUPAC Name: 2-[2-(4-phenyl-1,3-oxazol-2-yl)phenyl]acetic acid
SYSTEMATIC NAME: 2-[2-(4-phenyl-1,3-oxazol-2-yl)phenyl]ethanoic acid
MOLECULAR FORMULA: C17H13NO3
MOLECULAR WEIGHT: 279.29002
SMILES: C1=CC=C(C=C1)C2=COC(=N2)C3=CC=CC=C3CC(=O)O
Structure:
CAS RN: 114640-52-7
CAS Name: [(1R)-4-methyl-1-[(1R)-1-methyl-2-methylenecyclopentyl]-1-cyclohex-3-enyl]methanol
OPENEYE Name: [(1R)-4-methyl-1-[(1R)-1-methyl-2-methylene-cyclopentyl]cyclohex-3-en-1-yl]methanol
IUPAC Name: [(1R)-4-methyl-1-[(1R)-1-methyl-2-methylidenecyclopentyl]cyclohex-3-en-1-yl]methanol
SYSTEMATIC NAME: [(1R)-4-methyl-1-[(1R)-1-methyl-2-methylidene-cyclopentyl]cyclohex-3-en-1-yl]methanol
MOLECULAR FORMULA: C15H24O
MOLECULAR WEIGHT: 220.35046
SMILES: CC1=CC[C@@](CC1)(CO)[C@@]2(CCCC2=C)C
Structure:
CAS RN: 114636-23-6
CAS Name: 4-methyl-1-cyclohex-3-enecarboxylic acid (2-methyl-1-cyclopentenyl)methyl ester
OPENEYE Name: (2-methylcyclopenten-1-yl)methyl 4-methylcyclohex-3-ene-1-carboxylate
IUPAC Name: (2-methylcyclopenten-1-yl)methyl 4-methylcyclohex-3-ene-1-carboxylate
SYSTEMATIC NAME: (2-methylcyclopenten-1-yl)methyl 4-methylcyclohex-3-ene-1-carboxylate
MOLECULAR FORMULA: C15H22O2
MOLECULAR WEIGHT: 234.33398
SMILES: CC1=CCC(CC1)C(=O)OCC2=C(CCC2)C
Structure:
CAS RN: 114624-39-4
CAS Name: (7R,12S)-10-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-diol
OPENEYE Name: (7R,12S)-10-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-diol
IUPAC Name: (7R,12S)-10-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-diol
SYSTEMATIC NAME: (7R,12S)-10-fluoranyl-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-diol
MOLECULAR FORMULA: C20H21FO2
MOLECULAR WEIGHT: 312.377943
SMILES: C[C@]1(C2=C(C=C(C=C2)F)[C@](C3=C1C=CC4=C3CCCC4)(C)O)O
Structure:
CAS RN: 114606-56-3
CAS Name: (7R,12S)-6-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-diol
OPENEYE Name: (7R,12S)-6-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-diol
IUPAC Name: (7R,12S)-6-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-diol
SYSTEMATIC NAME: (7R,12S)-6-fluoranyl-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-diol
MOLECULAR FORMULA: C20H21FO2
MOLECULAR WEIGHT: 312.377943
SMILES: C[C@@]1(C2=CC=CC=C2[C@@](C3=C(C=C4CCCCC4=C31)F)(C)O)O
Structure:
CAS RN: 114577-01-4
CAS Name: (7R,12S)-5-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-diol
OPENEYE Name: (7R,12S)-5-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-diol
IUPAC Name: (7R,12S)-5-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-diol
SYSTEMATIC NAME: (7R,12S)-5-fluoranyl-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-diol
MOLECULAR FORMULA: C20H21FO2
MOLECULAR WEIGHT: 312.377943
SMILES: C[C@]1(C2=CC=CC=C2[C@](C3=C4CCCCC4=C(C=C31)F)(C)O)O
Structure:
CAS RN: 114529-11-2
CAS Name: (4R)-4-(fluoromethyl)-4-hydroxy-2-oxanone
OPENEYE Name: (4R)-4-(fluoromethyl)-4-hydroxy-tetrahydropyran-2-one
IUPAC Name: (4R)-4-(fluoromethyl)-4-hydroxyoxan-2-one
SYSTEMATIC NAME: (4R)-4-(fluoranylmethyl)-4-oxidanyl-oxan-2-one
MOLECULAR FORMULA: C6H9FO3
MOLECULAR WEIGHT: 148.132263
SMILES: C1COC(=O)C[C@]1(CF)O
Structure:
CAS RN: 114522-13-3
CAS Name: decanoic acid [(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl] ester
OPENEYE Name: [(2R,3S)-2-(3,4-dihydroxyphenyl)chroman-3-yl] decanoate
IUPAC Name: [(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] decanoate
SYSTEMATIC NAME: [(2R,3S)-2-[3,4-bis(oxidanyl)phenyl]-3,4-dihydro-2H-chromen-3-yl] decanoate
MOLECULAR FORMULA: C25H32O5
MOLECULAR WEIGHT: 412.51858
SMILES: CCCCCCCCCC(=O)O[C@H]1CC2=CC=CC=C2O[C@@H]1C3=CC(=C(C=C3)O)O
Structure:
CAS RN: 59146-54-2
CAS Name: 3-(6H-benzo[c][1]benzothiepin-11-ylidene)-8-azabicyclo[3.2.1]octane
OPENEYE Name: 3-(6H-benzo[c][1]benzothiepin-11-ylidene)-8-azabicyclo[3.2.1]octane
IUPAC Name: 3-(6H-benzo[c][1]benzothiepin-11-ylidene)-8-azabicyclo[3.2.1]octane
SYSTEMATIC NAME: 3-(6H-benzo[c][1]benzothiepin-11-ylidene)-8-azabicyclo[3.2.1]octane
MOLECULAR FORMULA: C21H21NS
MOLECULAR WEIGHT: 319.46314
SMILES: C1CC2CC(=C3C4=CC=CC=C4CSC5=CC=CC=C53)CC1N2
Structure:
CAS RN: 114506-97-7
CAS Name: (2R,3S)-2-[3,4-bis(2-hydroxyethoxy)phenyl]-5,7-bis(2-hydroxyethoxy)-3,4-dihydro-2H-1-benzopyran-3-ol
OPENEYE Name: (2R,3S)-2-[3,4-bis(2-hydroxyethoxy)phenyl]-5,7-bis(2-hydroxyethoxy)chroman-3-ol
IUPAC Name: (2R,3S)-2-[3,4-bis(2-hydroxyethoxy)phenyl]-5,7-bis(2-hydroxyethoxy)-3,4-dihydro-2H-chromen-3-ol
SYSTEMATIC NAME: (2R,3S)-2-[3,4-bis(2-hydroxyethyloxy)phenyl]-5,7-bis(2-hydroxyethyloxy)-3,4-dihydro-2H-chromen-3-ol
MOLECULAR FORMULA: C23H30O10
MOLECULAR WEIGHT: 466.4783
SMILES: C1[C@@H]([C@H](OC2=CC(=CC(=C21)OCCO)OCCO)C3=CC(=C(C=C3)OCCO)OCCO)O
Structure:
CAS RN: 114423-97-1
CAS Name: 4-methoxybenzoic acid [(8aR)-8a-methyl-3-propan-2-yl-2,4,5,8-tetrahydro-1H-azulen-6-yl]methyl ester
OPENEYE Name: [(8aR)-3-isopropyl-8a-methyl-2,4,5,8-tetrahydro-1H-azulen-6-yl]methyl 4-methoxybenzoate
IUPAC Name: [(8aR)-8a-methyl-3-propan-2-yl-2,4,5,8-tetrahydro-1H-azulen-6-yl]methyl 4-methoxybenzoate
SYSTEMATIC NAME: [(8aR)-8a-methyl-3-propan-2-yl-2,4,5,8-tetrahydro-1H-azulen-6-yl]methyl 4-methoxybenzoate
MOLECULAR FORMULA: C23H30O3
MOLECULAR WEIGHT: 354.4825
SMILES: CC(C)C1=C2CCC(=CC[C@]2(CC1)C)COC(=O)C3=CC=C(C=C3)OC
Structure:
CAS RN: 114417-09-3
CAS Name: (4-hydroxyphenyl)-[2,4,6-trihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]phenyl]methanone
OPENEYE Name: (4-hydroxyphenyl)-[2,4,6-trihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]phenyl]methanone
IUPAC Name: (4-hydroxyphenyl)-[2,4,6-trihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methanone
SYSTEMATIC NAME: [3-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2,4,6-tris(oxidanyl)phenyl]-(4-hydroxyphenyl)methanone
MOLECULAR FORMULA: C19H20O10
MOLECULAR WEIGHT: 408.3561
SMILES: C1=CC(=CC=C1C(=O)C2=C(C(=C(C=C2O)O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
Structure:
CAS RN: 104593-59-1
CAS Name: 2-(chloromethyl)benzofuran
OPENEYE Name: 2-(chloromethyl)benzofuran
IUPAC Name: 2-(chloromethyl)-1-benzofuran
SYSTEMATIC NAME: 2-(chloromethyl)-1-benzofuran
MOLECULAR FORMULA: C9H7ClO
MOLECULAR WEIGHT: 166.60428
SMILES: C1=CC=C2C(=C1)C=C(O2)CCl
Structure:
CAS RN: 114176-06-6
CAS Name: acetic acid [(8-nitro-1-pyrenyl)amino] ester
OPENEYE Name: [(8-nitropyren-1-yl)amino] acetate
IUPAC Name: [(8-nitropyren-1-yl)amino] acetate
SYSTEMATIC NAME: [(8-nitropyren-1-yl)amino] ethanoate
MOLECULAR FORMULA: C18H12N2O4
MOLECULAR WEIGHT: 320.29888
SMILES: CC(=O)ONC1=C2C=CC3=C(C=CC4=C3C2=C(C=C4)C=C1)[N+](=O)[O-]
Structure:
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