didodecyl 2-[icosyl(sulfanyl)carbamothioyl]butanedioate

Systemtic Name: didodecyl 2-[icosyl(sulfanyl)carbamothioyl]butanedioate Openeye Name: didodecyl 2-[icosyl(sulfanyl)carbamothioyl]butanedioate CAS Name: 2-[[eicosyl(mercapto)amino]-sulfanylidenemethyl]butanedioic acid didodecyl ester IUPAC Name: didodecyl 2-[icosyl(sulfanyl)carbamothioyl]butanedioate Traditional Name: 2-[arachyl(mercapto)thiocarbamoyl]succinic acid dilauryl ester Formula: C49H95NO4S2 MolecularWeight: 826.4129

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCN(C(=S)C(CC(=O)OCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCC)S

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCN(C(=S)C(CC(=O)OCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCC)S

InChI

InChI=1S/C49H95NO4S2/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-30-33-36-39-42-50(56)48(55)46(49(52)54-44-41-38-35-32-21-18-15-12-9-6-3)45-47(51)53-43-40-37-34-31-20-17-14-11-8-5-2/h46,56H,4-45H2,1-3H3