Summary

IMPPAT Phytochemical identifier: IMPHY015299

Phytochemical name: Sulfurous acid, 2-propyl tetradecyl ester

Synonymous chemical names:
2-propyl tetradecyl ester sulfurous acid

External chemical identifiers:
CID:6420356

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCOS(=O)OC(C)C

InChI:
InChI=1S/C17H36O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-21(18)20-17(2)3/h17H,4-16H2,1-3H3

InChIKey:
LNIGOFYWRXOUHV-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCOS=O)OCC)C

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: 0.216

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Chemical structure download