dodecyl-ethyl-(4-methoxy-2-methoxycarbonyl-4-oxidanylidene-butanethioyl)-sulfanyl-azanium

Systemtic Name: dodecyl-ethyl-(4-methoxy-2-methoxycarbonyl-4-oxidanylidene-butanethioyl)-sulfanyl-azanium Openeye Name: dodecyl-ethyl-(4-methoxy-2-methoxycarbonyl-4-oxo-butanethioyl)-sulfanyl-ammonium CAS Name: dodecyl-ethyl-mercapto-(4-methoxy-2-methoxycarbonyl-4-oxo-1-sulfanylidenebutyl)ammonium IUPAC Name: dodecyl-ethyl-(4-methoxy-2-methoxycarbonyl-4-oxobutanethioyl)-sulfanylazanium Traditional Name: (2-carbomethoxy-4-keto-4-methoxy-butanethioyl)-ethyl-lauryl-mercapto-ammonium Formula: C21H40NO4S2+ MolecularWeight: 434.6766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H40NO4S2/c1-5-7-8-9-10-11-12-13-14-15-16-22(28,6-2)20(27)18(21(24)26-4)17-19(23)25-3/h18,28H,5-17H2,1-4H3/q+1