Chem
J-GLOBAL ID:200907025028501350   Nikkaji number:J2.456.813J

6-[3,4-Bis[[(S)-3,7-dimethyloctyl]oxy]benzoyloxy]-2H-1-benzopyran-2-one

2-オキソ-2H-クロメン-6-イル 3,4-ビス({[(3S)-3,7-ジメチルオクチル]オキシ})ベンゾアート
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: C36H50O6
Molecular formula furigana: C36-H50-O6
Molecular weight: 578.790
InChI: InChI=1S/C36H50O6/c1-25(2)9-7-11-27(5)19-21-39-33-16-13-30(24-34(33)40-22-20-28(6)12-8-10-26(3)4)36(38)41-31-15-17-32-29(23-31)14-18-35(37)42-32/h13-18,23-28H,7-12,19-22H2,1-6H3/t27-,28-/m0/s1
InChI key: BYLMVAZANZYVCN-NSOVKSMOSA-N
SMILES: CC(C)CCC[C@H](C)CCOc1ccc(cc1OCC[C@@H](C)CCCC(C)C)C(=O)Oc1ccc2oc(=O)ccc2c1
Systematic name  (3):
  • 6-[3,4-ビス[[(S)-3,7-ジメチルオクチル]オキシ]ベンゾイルオキシ]-2H-1-ベンゾピラン-2-オン
  • 2-オキソ-2H-クロメン-6-イル 3,4-ビス({[(3S)-3,7-ジメチルオクチル]オキシ})ベンゾアート
  • 2-oxo-2H-chromen-6-yl 3,4-bis({[(3S)-3,7-dimethyloctyl]oxy})benzoate
Other name (1):
  • 6-[3,4-Bis[[(S)-3,7-dimethyloctyl]oxy]benzoyloxy]-2H-1-benzopyran-2-one
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