Summary

IMPPAT Phytochemical identifier: IMPHY014464

Phytochemical name: Nonacosane, 2,3-dimethyl-

Synonymous chemical names:
2,3-dimethylnonacosane

External chemical identifiers:
CID:71331945

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(C)C)C

InChI:
InChI=1S/C31H64/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31(4)30(2)3/h30-31H,5-29H2,1-4H3

InChIKey:
MNCPKWPHMGLTCN-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C))C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Saturated hydrocarbons

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.389

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Chemical structure download