(4-butoxy-2-butoxycarbonyl-4-oxidanylidene-butanethioyl)-methyl-octadecyl-sulfanyl-azanium

Systemtic Name: (4-butoxy-2-butoxycarbonyl-4-oxidanylidene-butanethioyl)-methyl-octadecyl-sulfanyl-azanium Openeye Name: (4-butoxy-2-butoxycarbonyl-4-oxo-butanethioyl)-methyl-octadecyl-sulfanyl-ammonium CAS Name: [4-butoxy-2-[butoxy(oxo)methyl]-4-oxo-1-sulfanylidenebutyl]-mercapto-methyl-octadecylammonium IUPAC Name: (4-butoxy-2-butoxycarbonyl-4-oxobutanethioyl)-methyl-octadecyl-sulfanylazanium Traditional Name: (4-butoxy-2-butoxycarbonyl-4-keto-butanethioyl)-mercapto-methyl-stearyl-ammonium Formula: C32H62NO4S2+ MolecularWeight: 588.96898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H62NO4S2/c1-5-8-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-33(4,39)31(38)29(32(35)37-27-10-7-3)28-30(34)36-26-9-6-2/h29,39H,5-28H2,1-4H3/q+1