Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018126

Phytochemical name: Sulfurous acid, pentadecyl pentyl ester

Synonymous chemical names:
Sulfurous acid, pentadecyl pentyl ester

External chemical identifiers:
CID:CID_6421054

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCOS(=O)OCCCCC

InChI:
InChI=1S/C20H42O3S/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-20-23-24(21)22-19-17-6-4-2/h3-20H2,1-2H3

InChIKey:
LPLKYFRPDNIOEL-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCOS=O)OCCCCC

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: 0.28

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Chemical structure download