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dihexyl 2-[dodecyl(sulfanyl)carbamothioyl]butanedioate

dihexyl 2-[dodecyl(sulfanyl)carbamothioyl]butanedioate

Systemtic Name:dihexyl 2-[dodecyl(sulfanyl)carbamothioyl]butanedioate
Openeye Name:dihexyl 2-[dodecyl(sulfanyl)carbamothioyl]butanedioate
CAS Name:2-[[dodecyl(mercapto)amino]-sulfanylidenemethyl]butanedioic acid dihexyl ester
IUPAC Name:dihexyl 2-[dodecyl(sulfanyl)carbamothioyl]butanedioate
Traditional Name:2-[lauryl(mercapto)thiocarbamoyl]succinic acid dihexyl ester
Formula: C29H55NO4S2
MolecularWeight: 545.8813
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN(C(=S)C(CC(=O)OCCCCCC)C(=O)OCCCCCC)S


Isomeric SMILES

CCCCCCCCCCCCN(C(=S)C(CC(=O)OCCCCCC)C(=O)OCCCCCC)S


InChI

InChI=1S/C29H55NO4S2/c1-4-7-10-13-14-15-16-17-18-19-22-30(36)28(35)26(29(32)34-24-21-12-9-6-3)25-27(31)33-23-20-11-8-5-2/h26,36H,4-25H2,1-3H3


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