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

Systemtic Name: (4-ethoxy-2-ethoxycarbonyl-4-oxidanylidene-butanethioyl)-dipentyl-sulfanyl-azanium Openeye Name: (4-ethoxy-2-ethoxycarbonyl-4-oxo-butanethioyl)-dipentyl-sulfanyl-ammonium CAS Name: (4-ethoxy-2-ethoxycarbonyl-4-oxo-1-sulfanylidenebutyl)-mercapto-dipentylammonium IUPAC Name: (4-ethoxy-2-ethoxycarbonyl-4-oxobutanethioyl)-dipentyl-sulfanylazanium Traditional Name: diamyl-(2-carbethoxy-4-ethoxy-4-keto-butanethioyl)-mercapto-ammonium Formula: C19H36NO4S2+ MolecularWeight: 406.62344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H36NO4S2/c1-5-9-11-13-20(26,14-12-10-6-2)18(25)16(19(22)24-8-4)15-17(21)23-7-3/h16,26H,5-15H2,1-4H3/q+1