Summary

IMPPAT Phytochemical identifier: IMPHY016794

Phytochemical name: Oxalic acid, 2-ethylhexyl tetradecyl ester

Synonymous chemical names:
oxalic acid, 2-ethylhexyl tetradecyl ester

External chemical identifiers:
CID:6420793, SureChEMBL:SCHEMBL12543376

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCOC(=O)C(=O)OCC(CCCC)CC

InChI:
InChI=1S/C24H46O4/c1-4-7-9-10-11-12-13-14-15-16-17-18-20-27-23(25)24(26)28-21-22(6-3)19-8-5-2/h22H,4-21H2,1-3H3

InChIKey:
OFUPYZIDSXDVJY-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCOC=O)C=O)OCCCCCC))))CC

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohol esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.38

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Chemical structure download