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

Systemtic Name: [3,4-bis(oxidanyl)-4-oxidanylidene-3-phosphono-butyl]-methyl-pentyl-(2-sulfanylideneethyl)azanium chloride Openeye Name: (3,4-dihydroxy-4-oxo-3-phosphono-butyl)-methyl-pentyl-(2-thioxoethyl)ammonium chloride CAS Name: (3,4-dihydroxy-4-oxo-3-phosphonobutyl)-methyl-pentyl-(2-sulfanylideneethyl)ammonium chloride IUPAC Name: (3,4-dihydroxy-4-oxo-3-phosphonobutyl)-methyl-pentyl-(2-sulfanylideneethyl)azanium chloride Traditional Name: amyl-(3,4-dihydroxy-4-keto-3-phosphono-butyl)-methyl-(2-thioxoethyl)ammonium chloride Formula: C12H25ClNO6PS MolecularWeight: 377.821761

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H24NO6PS.ClH/c1-3-4-5-7-13(2,9-10-21)8-6-12(16,11(14)15)20(17,18)19;/h10,16H,3-9H2,1-2H3,(H2-,14,15,17,18,19);1H