Summary

IMPPAT Phytochemical identifier: IMPHY015530

Phytochemical name: Sulfurous acid, butyl octadecyl ester

Synonymous chemical names:
butyl octadecyl ester sulfurous acid

External chemical identifiers:
CID:6420808

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCOS(=O)OCCCC

InChI:
InChI=1S/C22H46O3S/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-26(23)24-21-6-4-2/h3-22H2,1-2H3

InChIKey:
HHRDRZWGPXNDKO-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCOS=O)OCCCC

Functional groups:
COS(=O)OC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP-Likeness score: 0.236

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Chemical structure download