dodecyl-(4-ethoxy-2-ethoxycarbonyl-4-oxidanylidene-butanethioyl)-propan-2-yl-sulfanyl-azanium

Systemtic Name: dodecyl-(4-ethoxy-2-ethoxycarbonyl-4-oxidanylidene-butanethioyl)-propan-2-yl-sulfanyl-azanium Openeye Name: dodecyl-(4-ethoxy-2-ethoxycarbonyl-4-oxo-butanethioyl)-isopropyl-sulfanyl-ammonium CAS Name: dodecyl-(4-ethoxy-2-ethoxycarbonyl-4-oxo-1-sulfanylidenebutyl)-mercapto-propan-2-ylammonium IUPAC Name: dodecyl-(4-ethoxy-2-ethoxycarbonyl-4-oxobutanethioyl)-propan-2-yl-sulfanylazanium Traditional Name: (2-carbethoxy-4-ethoxy-4-keto-butanethioyl)-isopropyl-lauryl-mercapto-ammonium Formula: C24H46NO4S2+ MolecularWeight: 476.75634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H46NO4S2/c1-6-9-10-11-12-13-14-15-16-17-18-25(31,20(4)5)23(30)21(24(27)29-8-3)19-22(26)28-7-2/h20-21,31H,6-19H2,1-5H3/q+1