ethyl-methyl-(4-octoxy-2-octoxycarbonyl-4-oxidanylidene-butanethioyl)-sulfanyl-azanium

Systemtic Name: ethyl-methyl-(4-octoxy-2-octoxycarbonyl-4-oxidanylidene-butanethioyl)-sulfanyl-azanium Openeye Name: ethyl-methyl-(4-octoxy-2-octoxycarbonyl-4-oxo-butanethioyl)-sulfanyl-ammonium CAS Name: ethyl-mercapto-methyl-[4-octoxy-2-[octoxy(oxo)methyl]-4-oxo-1-sulfanylidenebutyl]ammonium IUPAC Name: ethyl-methyl-(4-octoxy-2-octoxycarbonyl-4-oxobutanethioyl)-sulfanylazanium Traditional Name: ethyl-(4-keto-4-octoxy-2-octoxycarbonyl-butanethioyl)-mercapto-methyl-ammonium Formula: C24H46NO4S2+ MolecularWeight: 476.75634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H46NO4S2/c1-5-8-10-12-14-16-18-28-22(26)20-21(23(30)25(4,31)7-3)24(27)29-19-17-15-13-11-9-6-2/h21,31H,5-20H2,1-4H3/q+1