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

Systemtic Name: didodecyl-(4-oxidanylidene-4-pentoxy-2-pentoxycarbonyl-butanethioyl)-sulfanyl-azanium Openeye Name: didodecyl-(4-oxo-4-pentoxy-2-pentoxycarbonyl-butanethioyl)-sulfanyl-ammonium CAS Name: didodecyl-mercapto-[4-oxo-2-[oxo(pentoxy)methyl]-4-pentoxy-1-sulfanylidenebutyl]ammonium IUPAC Name: didodecyl-(4-oxo-4-pentoxy-2-pentoxycarbonylbutanethioyl)-sulfanylazanium Traditional Name: (4-amoxy-2-amoxycarbonyl-4-keto-butanethioyl)-dilauryl-mercapto-ammonium Formula: C39H76NO4S2+ MolecularWeight: 687.15504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H76NO4S2/c1-5-9-13-15-17-19-21-23-25-27-31-40(46,32-28-26-24-22-20-18-16-14-10-6-2)38(45)36(39(42)44-34-30-12-8-4)35-37(41)43-33-29-11-7-3/h36,46H,5-35H2,1-4H3/q+1