Summary

IMPPAT Phytochemical identifier: IMPHY009484

Phytochemical name: Hexatriacontane

Synonymous chemical names:
hexatriacontane, n-hexatriacontane

External chemical identifiers:
CID:12412, ChEBI:72688, ZINC:ZINC000006920425, FDASRS:ZX65M35102, SureChEMBL:SCHEMBL199066, MolPort-003-933-010

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

InChI:
InChI=1S/C36H74/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3

InChIKey:
YDLYQMBWCWFRAI-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Saturated hydrocarbons

ClassyFire Subclass: Alkanes

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.068

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Chemical structure download