Summary

IMPPAT Phytochemical identifier: IMPHY015626

Phytochemical name: Di-tert-dodecyl disulfide

Synonymous chemical names:
di-tert-dodecyl disulfide

External chemical identifiers:
CID:117981, ChEBI:84283, ZINC:ZINC000100044395, SureChEMBL:SCHEMBL728106

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Chemical structure information

SMILES:
CCCCCCCCCC(SSC(CCCCCCCCC)(C)C)(C)C

InChI:
InChI=1S/C24H50S2/c1-7-9-11-13-15-17-19-21-23(3,4)25-26-24(5,6)22-20-18-16-14-12-10-8-2/h7-22H2,1-6H3

InChIKey:
LEDIWWJKWAMGLD-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCSSCCCCCCCCCC)))))))))C)C))))C)C

Functional groups:
CSSC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organosulfur compounds

ClassyFire Class: Organic disulfides

ClassyFire Subclass: Dialkyldisulfides

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.185

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Chemical structure download