Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018141

Phytochemical name: Sulfurous acid, butyl decyl ester

Synonymous chemical names:
Sulfurous acid, butyl decyl ester

External chemical identifiers:
CID:CID_6420815

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Chemical structure information

SMILES:
CCCCCCCCCCOS(=O)OCCCC

InChI:
InChI=1S/C14H30O3S/c1-3-5-7-8-9-10-11-12-14-17-18(15)16-13-6-4-2/h3-14H2,1-2H3

InChIKey:
JBVHMGZUWGSNEG-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCOS=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: 0.341

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Chemical structure download