Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018128

Phytochemical name: Oxalic acid, bis(6-ethyloct-3-yl) ester

Synonymous chemical names:
Oxalic acid, bis(6-ethyloct-3-yl) ester

External chemical identifiers:
CID:CID_6420814

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Chemical structure information

SMILES:
CCC(OC(=O)C(=O)OC(CCC(CC)CC)CC)CCC(CC)CC

InChI:
InChI=1S/C22H42O4/c1-7-17(8-2)13-15-19(11-5)25-21(23)22(24)26-20(12-6)16-14-18(9-3)10-4/h17-20H,7-16H2,1-6H3

InChIKey:
BWIBVXYIDIZYFJ-UHFFFAOYSA-N

DeepSMILES:
CCCOC=O)C=O)OCCCCCC))CC)))))CC)))))))CCCCC))CC

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 diesters

NP-Likeness score: 0.591

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Chemical structure download