Summary

IMPPAT Phytochemical identifier: IMPHY009483

Phytochemical name: Tritriacontane

Synonymous chemical names:
n-tritriacontane, tritriacontane, tritriacontane-n

External chemical identifiers:
CID:12411, ChEBI:9751, ZINC:ZINC000006920432, FDASRS:4Y81Q52008, SureChEMBL:SCHEMBL197712

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

InChI:
InChI=1S/C33H68/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-33H2,1-2H3

InChIKey:
SUJUOAZFECLBOA-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

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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: 0.074

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Chemical structure download