Summary

IMPPAT Phytochemical identifier: IMPHY015481

Phytochemical name: Oxalic acid, allyl undecyl ester

Synonymous chemical names:
allyl undecyl ester oxalic acid

External chemical identifiers:
CID:6420248

---

Chemical structure information

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

InChI:
InChI=1S/C16H28O4/c1-3-5-6-7-8-9-10-11-12-14-20-16(18)15(17)19-13-4-2/h4H,2-3,5-14H2,1H3

InChIKey:
SUAQXXWHDKGTHX-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCOC=O)C=O)OCC=C

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

---

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: 0.22

---

Chemical structure download