Summary

IMPPAT Phytochemical identifier: IMPHY016182

Phytochemical name: (3E,5Z)-octa-1,3,5-triene

Synonymous chemical names:
1,3-trans-5-cis-octatriene

External chemical identifiers:
CID:5367475

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Chemical structure information

SMILES:
CC/C=CC=CC=C

InChI:
InChI=1S/C8H12/c1-3-5-7-8-6-4-2/h3,5-8H,1,4H2,2H3/b7-5+,8-6-

InChIKey:
HOXGZVUCAYFWGR-YMBWGVAGSA-N

DeepSMILES:
CC/C=CC=CC=C

Functional groups:
C=C/C=C/C=CC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Olefins

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP-Likeness score: 2.665

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Chemical structure download