Summary

IMPPAT Phytochemical identifier: IMPHY015533

Phytochemical name: Sulfurous acid, butyl tridecyl ester

Synonymous chemical names:
butyl tridecyl ester sulfurous acid

External chemical identifiers:
CID:6420803

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Chemical structure information

SMILES:
CCCCCCCCCCCCCOS(=O)OCCCC

InChI:
InChI=1S/C17H36O3S/c1-3-5-7-8-9-10-11-12-13-14-15-17-20-21(18)19-16-6-4-2/h3-17H2,1-2H3

InChIKey:
XRVKVNPMLQRAQW-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCOS=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: 0.292

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Chemical structure download