(4-dodecoxy-2-dodecoxycarbonyl-4-oxidanylidene-butanethioyl)-ethyl-methyl-sulfanyl-azanium

Systemtic Name: (4-dodecoxy-2-dodecoxycarbonyl-4-oxidanylidene-butanethioyl)-ethyl-methyl-sulfanyl-azanium Openeye Name: (4-dodecoxy-2-dodecoxycarbonyl-4-oxo-butanethioyl)-ethyl-methyl-sulfanyl-ammonium CAS Name: [4-dodecoxy-2-[dodecoxy(oxo)methyl]-4-oxo-1-sulfanylidenebutyl]-ethyl-mercapto-methylammonium IUPAC Name: (4-dodecoxy-2-dodecoxycarbonyl-4-oxobutanethioyl)-ethyl-methyl-sulfanylazanium Traditional Name: ethyl-(4-keto-4-lauryloxy-2-lauryloxycarbonyl-butanethioyl)-mercapto-methyl-ammonium Formula: C32H62NO4S2+ MolecularWeight: 588.96898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H62NO4S2/c1-5-8-10-12-14-16-18-20-22-24-26-36-30(34)28-29(31(38)33(4,39)7-3)32(35)37-27-25-23-21-19-17-15-13-11-9-6-2/h29,39H,5-28H2,1-4H3/q+1