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

Systemtic Name: dioctadecyl-(4-oxidanylidene-4-pentoxy-2-pentoxycarbonyl-butanethioyl)-sulfanyl-azanium Openeye Name: dioctadecyl-(4-oxo-4-pentoxy-2-pentoxycarbonyl-butanethioyl)-sulfanyl-ammonium CAS Name: mercapto-dioctadecyl-[4-oxo-2-[oxo(pentoxy)methyl]-4-pentoxy-1-sulfanylidenebutyl]ammonium IUPAC Name: dioctadecyl-(4-oxo-4-pentoxy-2-pentoxycarbonylbutanethioyl)-sulfanylazanium Traditional Name: (4-amoxy-2-amoxycarbonyl-4-keto-butanethioyl)-mercapto-distearyl-ammonium Formula: C51H100NO4S2+ MolecularWeight: 855.474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C51H100NO4S2/c1-5-9-13-15-17-19-21-23-25-27-29-31-33-35-37-39-43-52(58,44-40-38-36-34-32-30-28-26-24-22-20-18-16-14-10-6-2)50(57)48(51(54)56-46-42-12-8-4)47-49(53)55-45-41-11-7-3/h48,58H,5-47H2,1-4H3/q+1