Summary

IMPPAT Phytochemical identifier: IMPHY015320

Phytochemical name: Oxalic acid, 3,5-difluorophenyl undecyl ester

Synonymous chemical names:
3,5-difluorophenyl undecyl ester oxalic acid

External chemical identifiers:
CID:6420727

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Chemical structure information

SMILES:
CCCCCCCCCCCOC(=O)C(=O)Oc1cc(F)cc(c1)F

InChI:
InChI=1S/C19H26F2O4/c1-2-3-4-5-6-7-8-9-10-11-24-18(22)19(23)25-17-13-15(20)12-16(21)14-17/h12-14H,2-11H2,1H3

InChIKey:
OTFUYBMXDPEDAX-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCOC=O)C=O)OcccF)ccc6)F

Functional groups:
cF, cOC(=O)C(=O)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Phenoxyacetic acid derivatives

NP-Likeness score: -0.227

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Chemical structure download