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

Systemtic Name: (4-octoxy-2-octoxycarbonyl-4-oxidanylidene-butanethioyl)-dipentyl-sulfanyl-azanium Openeye Name: (4-octoxy-2-octoxycarbonyl-4-oxo-butanethioyl)-dipentyl-sulfanyl-ammonium CAS Name: mercapto-[4-octoxy-2-[octoxy(oxo)methyl]-4-oxo-1-sulfanylidenebutyl]-dipentylammonium IUPAC Name: (4-octoxy-2-octoxycarbonyl-4-oxobutanethioyl)-dipentyl-sulfanylazanium Traditional Name: diamyl-(4-keto-4-octoxy-2-octoxycarbonyl-butanethioyl)-mercapto-ammonium Formula: C31H60NO4S2+ MolecularWeight: 574.9424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H60NO4S2/c1-5-9-13-15-17-21-25-35-29(33)27-28(31(34)36-26-22-18-16-14-10-6-2)30(37)32(38,23-19-11-7-3)24-20-12-8-4/h28,38H,5-27H2,1-4H3/q+1