Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018136

Phytochemical name: 6-Tetradecanesulfonic acid, butyl ester

Synonymous chemical names:
6-Tetradecanesulfonic acid, butyl ester

External chemical identifiers:
CID:CID_551402

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Chemical structure information

SMILES:
CCCCCCCCC(S(=O)(=O)OCCCC)CCCCC

InChI:
InChI=1S/C18H38O3S/c1-4-7-10-11-12-14-16-18(15-13-8-5-2)22(19,20)21-17-9-6-3/h18H,4-17H2,1-3H3

InChIKey:
IUOLOMPNSNUSAF-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCS=O)=O)OCCCC))))))CCCCC

Functional groups:
COS(C)(=O)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Organic sulfonic acids and derivatives

ClassyFire Subclass: Organosulfonic acids and derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 0.373

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Chemical structure download