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

Systemtic Name: didodecyl-(4-octoxy-2-octoxycarbonyl-4-oxidanylidene-butanethioyl)-sulfanyl-azanium Openeye Name: didodecyl-(4-octoxy-2-octoxycarbonyl-4-oxo-butanethioyl)-sulfanyl-ammonium CAS Name: didodecyl-mercapto-[4-octoxy-2-[octoxy(oxo)methyl]-4-oxo-1-sulfanylidenebutyl]ammonium IUPAC Name: didodecyl-(4-octoxy-2-octoxycarbonyl-4-oxobutanethioyl)-sulfanylazanium Traditional Name: (4-keto-4-octoxy-2-octoxycarbonyl-butanethioyl)-dilauryl-mercapto-ammonium Formula: C45H88NO4S2+ MolecularWeight: 771.31452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H88NO4S2/c1-5-9-13-17-21-23-25-27-29-33-37-46(52,38-34-30-28-26-24-22-18-14-10-6-2)44(51)42(45(48)50-40-36-32-20-16-12-8-4)41-43(47)49-39-35-31-19-15-11-7-3/h42,52H,5-41H2,1-4H3/q+1