[3,4-bis(oxidanyl)-4-oxidanylidene-3-phosphono-butyl]-dimethyl-(2-sulfanylideneethyl)azanium chloride

Systemtic Name: [3,4-bis(oxidanyl)-4-oxidanylidene-3-phosphono-butyl]-dimethyl-(2-sulfanylideneethyl)azanium chloride Openeye Name: (3,4-dihydroxy-4-oxo-3-phosphono-butyl)-dimethyl-(2-thioxoethyl)ammonium chloride CAS Name: (3,4-dihydroxy-4-oxo-3-phosphonobutyl)-dimethyl-(2-sulfanylideneethyl)ammonium chloride IUPAC Name: (3,4-dihydroxy-4-oxo-3-phosphonobutyl)-dimethyl-(2-sulfanylideneethyl)azanium chloride Traditional Name: (3,4-dihydroxy-4-keto-3-phosphono-butyl)-dimethyl-(2-thioxoethyl)ammonium chloride Formula: C8H17ClNO6PS MolecularWeight: 321.715441

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCC(C(=O)O)(O)P(=O)(O)O)CC=S.[Cl-]

Isomeric SMILES

C[N+](C)(CCC(C(=O)O)(O)P(=O)(O)O)CC=S.[Cl-]

InChI

InChI=1S/C8H16NO6PS.ClH/c1-9(2,5-6-17)4-3-8(12,7(10)11)16(13,14)15;/h6,12H,3-5H2,1-2H3,(H2-,10,11,13,14,15);1H