ditriacontyl 2-[methyl(sulfanyl)carbamothioyl]butanedioate

Systemtic Name: ditriacontyl 2-[methyl(sulfanyl)carbamothioyl]butanedioate Openeye Name: ditriacontyl 2-[methyl(sulfanyl)carbamothioyl]butanedioate CAS Name: 2-[[mercapto(methyl)amino]-sulfanylidenemethyl]butanedioic acid ditriacontyl ester IUPAC Name: ditriacontyl 2-[methyl(sulfanyl)carbamothioyl]butanedioate Traditional Name: 2-[mercapto(methyl)thiocarbamoyl]succinic acid dimelissyl ester Formula: C66H129NO4S2 MolecularWeight: 1064.86476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CC(C(=S)N(C)S)C(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CC(C(=S)N(C)S)C(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C66H129NO4S2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48-50-52-54-56-58-60-70-64(68)62-63(65(72)67(3)73)66(69)71-61-59-57-55-53-51-49-47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h63,73H,4-62H2,1-3H3