Summary

IMPPAT Phytochemical identifier: IMPHY015170

Phytochemical name: 1,54-Dibromotetrapentacontane

Synonymous chemical names:
1,54-dibromo tetrapentacontane, 1,54-dibromo-tetrapentacontane

External chemical identifiers:
CID:545963

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Chemical structure information

SMILES:
BrCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCBr

InChI:
InChI=1S/C54H108Br2/c55-53-51-49-47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48-50-52-54-56/h1-54H2

InChIKey:
MYKPFQFCUJYEOQ-UHFFFAOYSA-N

DeepSMILES:
BrCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCBr

Functional groups:
CBr

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organohalogen compounds

ClassyFire Class: Organobromides

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.024

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Chemical structure download