Chem
J-GLOBAL ID：200907033875717125
Nikkaji number：J884.620K
2-Benzhydrylbenzoic acid (1S,2R)-1-phenyl-2-methyl-4-oxobutyl ester
2-ベンズヒドリル安息香酸(1S,2R)-1-フェニル-2-メチル-4-オキソブチル
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C31H28O3
Molecular formula furigana： C31-H28-O3
Molecular weight： 448.562
InChI：
InChI=1S/C31H28O3/c1-23(21-22-32)30(26-17-9-4-10-18-26)34-31(33)28-20-12-11-19-27(28)29(24-13-5-2-6-14-24)25-15-7-3-8-16-25/h2-20,22-23,29-30H,21H2,1H3/t23-,30+/m1/s1
InChI key：
OGPYMZGIIIEDLT-DJUQAAIZSA-N
SMILES：
C[C@H](CC=O)[C@H](OC(=O)c1ccccc1C(c1ccccc1)c1ccccc1)c1ccccc1
Systematic name (3)：
- 2-ベンズヒドリル安息香酸(1S,2R)-1-フェニル-2-メチル-4-オキソブチル
- (1S,2R)-2-メチル-4-オキソ-1-フェニルブチル 2-(ジフェニルメチル)ベンゾアート
- (1S,2R)-2-methyl-4-oxo-1-phenylbutyl 2-(diphenylmethyl)benzoate
- 2-Benzhydrylbenzoic acid (1S,2R)-1-phenyl-2-methyl-4-oxobutyl ester
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