dimethyl-(4-octoxy-2-octoxycarbonyl-4-oxidanylidene-butanethioyl)-sulfanyl-azanium

Systemtic Name: dimethyl-(4-octoxy-2-octoxycarbonyl-4-oxidanylidene-butanethioyl)-sulfanyl-azanium Openeye Name: dimethyl-(4-octoxy-2-octoxycarbonyl-4-oxo-butanethioyl)-sulfanyl-ammonium CAS Name: mercapto-dimethyl-[4-octoxy-2-[octoxy(oxo)methyl]-4-oxo-1-sulfanylidenebutyl]ammonium IUPAC Name: dimethyl-(4-octoxy-2-octoxycarbonyl-4-oxobutanethioyl)-sulfanylazanium Traditional Name: (4-keto-4-octoxy-2-octoxycarbonyl-butanethioyl)-mercapto-dimethyl-ammonium Formula: C23H44NO4S2+ MolecularWeight: 462.72976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CC(C(=S)[N+](C)(C)S)C(=O)OCCCCCCCC

Isomeric SMILES

CCCCCCCCOC(=O)CC(C(=S)[N+](C)(C)S)C(=O)OCCCCCCCC

InChI

InChI=1S/C23H44NO4S2/c1-5-7-9-11-13-15-17-27-21(25)19-20(22(29)24(3,4)30)23(26)28-18-16-14-12-10-8-6-2/h20,30H,5-19H2,1-4H3/q+1