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

Systemtic Name: (4-methoxy-2-methoxycarbonyl-4-oxidanylidene-butanethioyl)-dioctyl-sulfanyl-azanium Openeye Name: (4-methoxy-2-methoxycarbonyl-4-oxo-butanethioyl)-dioctyl-sulfanyl-ammonium CAS Name: mercapto-(4-methoxy-2-methoxycarbonyl-4-oxo-1-sulfanylidenebutyl)-dioctylammonium IUPAC Name: (4-methoxy-2-methoxycarbonyl-4-oxobutanethioyl)-dioctyl-sulfanylazanium Traditional Name: (2-carbomethoxy-4-keto-4-methoxy-butanethioyl)-mercapto-dioctyl-ammonium Formula: C23H44NO4S2+ MolecularWeight: 462.72976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H44NO4S2/c1-5-7-9-11-13-15-17-24(30,18-16-14-12-10-8-6-2)22(29)20(23(26)28-4)19-21(25)27-3/h20,30H,5-19H2,1-4H3/q+1