Summary

IMPPAT Phytochemical identifier: IMPHY015528

Phytochemical name: Oxalic acid, butyl isohexyl ester

Synonymous chemical names:
butyl isohexyl ester oxalic acid

External chemical identifiers:
CID:6420372

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Chemical structure information

SMILES:
CCCCOC(=O)C(=O)OCCCC(C)C

InChI:
InChI=1S/C12H22O4/c1-4-5-8-15-11(13)12(14)16-9-6-7-10(2)3/h10H,4-9H2,1-3H3

InChIKey:
JYPCLOIOJBKFQA-UHFFFAOYSA-N

DeepSMILES:
CCCCOC=O)C=O)OCCCCC)C

Functional groups:
COC(=O)C(=O)OC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Dicarboxylic acids and derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.36

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Chemical structure download