Chem
J-GLOBAL ID:200907009326256150   Nikkaji number:J1.617.620F

Benzoic acid [(1S,2R)-2-[(1S)-1-hydroxypentyl]-2-phenylcyclohexyl] ester

安息香酸[(1S,2R)-2-[(1S)-1-ヒドロキシペンチル]-2-フェニルシクロヘキシル]
Substance type:
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
Molecular formula: C24H30O3
Molecular formula furigana: C24-H30-O3
Molecular weight: 366.501
InChI: InChI=1S/C24H30O3/c1-2-3-16-21(25)24(20-14-8-5-9-15-20)18-11-10-17-22(24)27-23(26)19-12-6-4-7-13-19/h4-9,12-15,21-22,25H,2-3,10-11,16-18H2,1H3/t21-,22-,24+/m0/s1
InChI key: YBXSJCARIPYEAY-WPFOTENUSA-N
SMILES: CCCC[C@H](O)[C@@]1(CCCC[C@@H]1OC(=O)c1ccccc1)c1ccccc1
Systematic name  (3):
  • 安息香酸[(1S,2R)-2-[(1S)-1-ヒドロキシペンチル]-2-フェニルシクロヘキシル]
  • (1S,2R)-2-[(1S)-1-ヒドロキシペンチル]-2-フェニルシクロヘキシル ベンゾアート
  • (1S,2R)-2-[(1S)-1-hydroxypentyl]-2-phenylcyclohexyl benzoate
Other name (1):
  • Benzoic acid [(1S,2R)-2-[(1S)-1-hydroxypentyl]-2-phenylcyclohexyl] ester
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