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

Systemtic Name: dihexyl-(4-oxidanylidene-4-pentoxy-2-pentoxycarbonyl-butanethioyl)-sulfanyl-azanium Openeye Name: dihexyl-(4-oxo-4-pentoxy-2-pentoxycarbonyl-butanethioyl)-sulfanyl-ammonium CAS Name: dihexyl-mercapto-[4-oxo-2-[oxo(pentoxy)methyl]-4-pentoxy-1-sulfanylidenebutyl]ammonium IUPAC Name: dihexyl-(4-oxo-4-pentoxy-2-pentoxycarbonylbutanethioyl)-sulfanylazanium Traditional Name: (4-amoxy-2-amoxycarbonyl-4-keto-butanethioyl)-dihexyl-mercapto-ammonium Formula: C27H52NO4S2+ MolecularWeight: 518.83608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H52NO4S2/c1-5-9-13-15-19-28(34,20-16-14-10-6-2)26(33)24(27(30)32-22-18-12-8-4)23-25(29)31-21-17-11-7-3/h24,34H,5-23H2,1-4H3/q+1