Summary

IMPPAT Phytochemical identifier: IMPHY016148

Phytochemical name: Octadecane-1-sulphonyl chloride

Synonymous chemical names:
1-octadecanesulphonyl chloride

External chemical identifiers:
CID:66281, ZINC:ZINC000100025870, SureChEMBL:SCHEMBL743460

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCS(=O)(=O)Cl

InChI:
InChI=1S/C18H37ClO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h2-18H2,1H3

InChIKey:
VDRWNKIQBYUKGD-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCS=O)=O)Cl

Functional groups:
CS(=O)(=O)Cl

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organohalogen compounds

ClassyFire Class: Sulfonyl halides

ClassyFire Subclass: Sulfonyl chlorides

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: -0.061

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Chemical structure download