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

Systemtic Name: (4-ethoxy-2-ethoxycarbonyl-4-oxidanylidene-butanethioyl)-dioctyl-sulfanyl-azanium Openeye Name: (4-ethoxy-2-ethoxycarbonyl-4-oxo-butanethioyl)-dioctyl-sulfanyl-ammonium CAS Name: (4-ethoxy-2-ethoxycarbonyl-4-oxo-1-sulfanylidenebutyl)-mercapto-dioctylammonium IUPAC Name: (4-ethoxy-2-ethoxycarbonyl-4-oxobutanethioyl)-dioctyl-sulfanylazanium Traditional Name: (2-carbethoxy-4-ethoxy-4-keto-butanethioyl)-mercapto-dioctyl-ammonium Formula: C25H48NO4S2+ MolecularWeight: 490.78292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H48NO4S2/c1-5-9-11-13-15-17-19-26(32,20-18-16-14-12-10-6-2)24(31)22(25(28)30-8-4)21-23(27)29-7-3/h22,32H,5-21H2,1-4H3/q+1