Summary

IMPPAT Phytochemical identifier: IMPHY016616

Phytochemical name: Diethyl oxalate

Synonymous chemical names:
diethyl oxalate

External chemical identifiers:
CID:7268, ChEMBL:CHEMBL3183226, ZINC:ZINC000001648270, FDASRS:860M3ZWF6J, SureChEMBL:SCHEMBL7262, MolPort-000-872-105

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Chemical structure information

SMILES:
CCOC(=O)C(=O)OCC

InChI:
InChI=1S/C6H10O4/c1-3-9-5(7)6(8)10-4-2/h3-4H2,1-2H3

InChIKey:
WYACBZDAHNBPPB-UHFFFAOYSA-N

DeepSMILES:
CCOC=O)C=O)OCC

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: -0.047

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Chemical structure download