trimethyl-[4-oxidanyl-4-oxidanylidene-2-[sulfanyl(tetradecoxy)phosphinothioyl]oxy-butyl]azanium

Systemtic Name: trimethyl-[4-oxidanyl-4-oxidanylidene-2-[sulfanyl(tetradecoxy)phosphinothioyl]oxy-butyl]azanium Openeye Name: [4-hydroxy-4-oxo-2-[sulfanyl(tetradecoxy)phosphinothioyl]oxy-butyl]-trimethyl-ammonium CAS Name: [4-hydroxy-2-[mercapto(tetradecoxy)phosphinothioyl]oxy-4-oxobutyl]-trimethylammonium IUPAC Name: [4-hydroxy-4-oxo-2-[sulfanyl(tetradecoxy)phosphinothioyl]oxybutyl]-trimethylazanium Traditional Name: [4-hydroxy-4-keto-2-[mercapto(myristyloxy)thiophosphoryl]oxy-butyl]-trimethyl-ammonium Formula: C21H45NO4PS2+ MolecularWeight: 470.690061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOP(=S)(OC(CC(=O)O)C[N+](C)(C)C)S

Isomeric SMILES

CCCCCCCCCCCCCCOP(=S)(OC(CC(=O)O)C[N+](C)(C)C)S

InChI

InChI=1S/C21H44NO4PS2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-25-27(28,29)26-20(18-21(23)24)19-22(2,3)4/h20H,5-19H2,1-4H3,(H-,23,24,28,29)/p+1