(4-ethoxy-2-ethoxycarbonyl-4-oxidanylidene-butanethioyl)-methyl-octadecyl-sulfanyl-azanium

Systemtic Name: (4-ethoxy-2-ethoxycarbonyl-4-oxidanylidene-butanethioyl)-methyl-octadecyl-sulfanyl-azanium Openeye Name: (4-ethoxy-2-ethoxycarbonyl-4-oxo-butanethioyl)-methyl-octadecyl-sulfanyl-ammonium CAS Name: (4-ethoxy-2-ethoxycarbonyl-4-oxo-1-sulfanylidenebutyl)-mercapto-methyl-octadecylammonium IUPAC Name: (4-ethoxy-2-ethoxycarbonyl-4-oxobutanethioyl)-methyl-octadecyl-sulfanylazanium Traditional Name: (2-carbethoxy-4-ethoxy-4-keto-butanethioyl)-mercapto-methyl-stearyl-ammonium Formula: C28H54NO4S2+ MolecularWeight: 532.86266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H54NO4S2/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(4,35)27(34)25(28(31)33-7-3)24-26(30)32-6-2/h25,35H,5-24H2,1-4H3/q+1