(4-dodecoxy-2-dodecoxycarbonyl-4-oxidanylidene-butanethioyl)-diheptyl-sulfanyl-azanium

Systemtic Name: (4-dodecoxy-2-dodecoxycarbonyl-4-oxidanylidene-butanethioyl)-diheptyl-sulfanyl-azanium Openeye Name: (4-dodecoxy-2-dodecoxycarbonyl-4-oxo-butanethioyl)-diheptyl-sulfanyl-ammonium CAS Name: [4-dodecoxy-2-[dodecoxy(oxo)methyl]-4-oxo-1-sulfanylidenebutyl]-diheptyl-mercaptoammonium IUPAC Name: (4-dodecoxy-2-dodecoxycarbonyl-4-oxobutanethioyl)-diheptyl-sulfanylazanium Traditional Name: diheptyl-(4-keto-4-lauryloxy-2-lauryloxycarbonyl-butanethioyl)-mercapto-ammonium Formula: C43H84NO4S2+ MolecularWeight: 743.26136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CC(C(=S)[N+](CCCCCCC)(CCCCCCC)S)C(=O)OCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC(C(=S)[N+](CCCCCCC)(CCCCCCC)S)C(=O)OCCCCCCCCCCCC

InChI

InChI=1S/C43H84NO4S2/c1-5-9-13-17-19-21-23-25-29-33-37-47-41(45)39-40(43(46)48-38-34-30-26-24-22-20-18-14-10-6-2)42(49)44(50,35-31-27-15-11-7-3)36-32-28-16-12-8-4/h40,50H,5-39H2,1-4H3/q+1