dioctyl-(4-oxidanylidene-4-pentoxy-2-pentoxycarbonyl-butanethioyl)-sulfanyl-azanium

Systemtic Name: dioctyl-(4-oxidanylidene-4-pentoxy-2-pentoxycarbonyl-butanethioyl)-sulfanyl-azanium Openeye Name: dioctyl-(4-oxo-4-pentoxy-2-pentoxycarbonyl-butanethioyl)-sulfanyl-ammonium CAS Name: mercapto-dioctyl-[4-oxo-2-[oxo(pentoxy)methyl]-4-pentoxy-1-sulfanylidenebutyl]ammonium IUPAC Name: dioctyl-(4-oxo-4-pentoxy-2-pentoxycarbonylbutanethioyl)-sulfanylazanium Traditional Name: (4-amoxy-2-amoxycarbonyl-4-keto-butanethioyl)-mercapto-dioctyl-ammonium Formula: C31H60NO4S2+ MolecularWeight: 574.9424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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