di(icosyl)-(4-methoxy-2-methoxycarbonyl-4-oxidanylidene-butanethioyl)-sulfanyl-azanium

Systemtic Name: di(icosyl)-(4-methoxy-2-methoxycarbonyl-4-oxidanylidene-butanethioyl)-sulfanyl-azanium Openeye Name: di(icosyl)-(4-methoxy-2-methoxycarbonyl-4-oxo-butanethioyl)-sulfanyl-ammonium CAS Name: di(eicosyl)-mercapto-(4-methoxy-2-methoxycarbonyl-4-oxo-1-sulfanylidenebutyl)ammonium IUPAC Name: di(icosyl)-(4-methoxy-2-methoxycarbonyl-4-oxobutanethioyl)-sulfanylazanium Traditional Name: diarachyl-(2-carbomethoxy-4-keto-4-methoxy-butanethioyl)-mercapto-ammonium Formula: C47H92NO4S2+ MolecularWeight: 799.36768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C47H92NO4S2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(54,46(53)44(47(50)52-4)43-45(49)51-3)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h44,54H,5-43H2,1-4H3/q+1