didodecyl-(4-methoxy-2-methoxycarbonyl-4-oxidanylidene-butanethioyl)-sulfanyl-azanium

Systemtic Name: didodecyl-(4-methoxy-2-methoxycarbonyl-4-oxidanylidene-butanethioyl)-sulfanyl-azanium Openeye Name: didodecyl-(4-methoxy-2-methoxycarbonyl-4-oxo-butanethioyl)-sulfanyl-ammonium CAS Name: didodecyl-mercapto-(4-methoxy-2-methoxycarbonyl-4-oxo-1-sulfanylidenebutyl)ammonium IUPAC Name: didodecyl-(4-methoxy-2-methoxycarbonyl-4-oxobutanethioyl)-sulfanylazanium Traditional Name: (2-carbomethoxy-4-keto-4-methoxy-butanethioyl)-dilauryl-mercapto-ammonium Formula: C31H60NO4S2+ MolecularWeight: 574.9424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(C(=S)C(CC(=O)OC)C(=O)OC)S

Isomeric SMILES

CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(C(=S)C(CC(=O)OC)C(=O)OC)S

InChI

InChI=1S/C31H60NO4S2/c1-5-7-9-11-13-15-17-19-21-23-25-32(38,26-24-22-20-18-16-14-12-10-8-6-2)30(37)28(31(34)36-4)27-29(33)35-3/h28,38H,5-27H2,1-4H3/q+1