(4-dodecoxy-2-dodecoxycarbonyl-4-oxidanylidene-butanethioyl)-dimethyl-sulfanyl-azanium

Systemtic Name: (4-dodecoxy-2-dodecoxycarbonyl-4-oxidanylidene-butanethioyl)-dimethyl-sulfanyl-azanium Openeye Name: (4-dodecoxy-2-dodecoxycarbonyl-4-oxo-butanethioyl)-dimethyl-sulfanyl-ammonium CAS Name: [4-dodecoxy-2-[dodecoxy(oxo)methyl]-4-oxo-1-sulfanylidenebutyl]-mercapto-dimethylammonium IUPAC Name: (4-dodecoxy-2-dodecoxycarbonyl-4-oxobutanethioyl)-dimethyl-sulfanylazanium Traditional Name: (4-keto-4-lauryloxy-2-lauryloxycarbonyl-butanethioyl)-mercapto-dimethyl-ammonium Formula: C31H60NO4S2+ MolecularWeight: 574.9424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CC(C(=S)[N+](C)(C)S)C(=O)OCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC(C(=S)[N+](C)(C)S)C(=O)OCCCCCCCCCCCC

InChI

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