didodecyl-(4-ethoxy-2-ethoxycarbonyl-4-oxidanylidene-butanethioyl)-sulfanyl-azanium

Systemtic Name: didodecyl-(4-ethoxy-2-ethoxycarbonyl-4-oxidanylidene-butanethioyl)-sulfanyl-azanium Openeye Name: didodecyl-(4-ethoxy-2-ethoxycarbonyl-4-oxo-butanethioyl)-sulfanyl-ammonium CAS Name: didodecyl-(4-ethoxy-2-ethoxycarbonyl-4-oxo-1-sulfanylidenebutyl)-mercaptoammonium IUPAC Name: didodecyl-(4-ethoxy-2-ethoxycarbonyl-4-oxobutanethioyl)-sulfanylazanium Traditional Name: (2-carbethoxy-4-ethoxy-4-keto-butanethioyl)-dilauryl-mercapto-ammonium Formula: C33H64NO4S2+ MolecularWeight: 602.99556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H64NO4S2/c1-5-9-11-13-15-17-19-21-23-25-27-34(40,28-26-24-22-20-18-16-14-12-10-6-2)32(39)30(33(36)38-8-4)29-31(35)37-7-3/h30,40H,5-29H2,1-4H3/q+1