Chem
J-GLOBAL ID:200907051149460067   Nikkaji number:J520.415A

Butane-1,2,3-tricarboxylic acid 1,3-dihexyl ester

ブタン-1,2,3-トリカルボン酸1,3-ジヘキシル
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: C19H34O6
Molecular formula furigana: C19-H34-O6
Molecular weight: 358.475
InChI: InChI=1S/C19H34O6/c1-4-6-8-10-12-24-17(20)14-16(18(21)22)15(3)19(23)25-13-11-9-7-5-2/h15-16H,4-14H2,1-3H3,(H,21,22)
InChI key: DGGBMQJFHAFCRH-UHFFFAOYSA-N
SMILES: CCCCCCOC(=O)CC(C(C)C(=O)OCCCCCC)C(=O)O
Systematic name  (3):
  • ブタン-1,2,3-トリカルボン酸1,3-ジヘキシル
  • 4-(ヘキシルオキシ)-2-[2-(ヘキシルオキシ)-2-オキソエチル]-3-メチル-4-オキソブタン酸
  • 4-(hexyloxy)-2-[2-(hexyloxy)-2-oxoethyl]-3-methyl-4-oxobutanoic acid
Other name (1):
  • Butane-1,2,3-tricarboxylic acid 1,3-dihexyl ester
Regulation number (1):
  • (2)-892
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