Summary

IMPPAT Phytochemical identifier: IMPHY015943

Phytochemical name: Sulfurous acid, butyl dodecyl ester

Synonymous chemical names:
sulfurous acid-2- butyl dodecyl ester

External chemical identifiers:
CID:6420769

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Chemical structure information

SMILES:
CCCCCCCCCCCCOS(=O)OCCCC

InChI:
InChI=1S/C16H34O3S/c1-3-5-7-8-9-10-11-12-13-14-16-19-20(17)18-15-6-4-2/h3-16H2,1-2H3

InChIKey:
YAPWCTMDKNJQRU-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCOS=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: 0.307

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Chemical structure download