2-oxidanyl-2-phosphono-3-[1-(2-sulfanylideneethyl)pyridin-1-ium-3-yl]propanoic acid chloride

Systemtic Name: 2-oxidanyl-2-phosphono-3-[1-(2-sulfanylideneethyl)pyridin-1-ium-3-yl]propanoic acid chloride Openeye Name: 2-hydroxy-2-phosphono-3-[1-(2-thioxoethyl)pyridin-1-ium-3-yl]propanoic acid chloride CAS Name: 2-hydroxy-2-phosphono-3-[1-(2-sulfanylideneethyl)-3-pyridin-1-iumyl]propanoic acid chloride IUPAC Name: 2-hydroxy-2-phosphono-3-[1-(2-sulfanylideneethyl)pyridin-1-ium-3-yl]propanoic acid chloride Traditional Name: 2-hydroxy-2-phosphono-3-[1-(2-thioxoethyl)pyridin-1-ium-3-yl]propionic acid chloride Formula: C10H13ClNO6PS MolecularWeight: 341.705081

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC=S)CC(C(=O)O)(O)P(=O)(O)O.[Cl-]

Isomeric SMILES

C1=CC(=C[N+](=C1)CC=S)CC(C(=O)O)(O)P(=O)(O)O.[Cl-]

InChI

InChI=1S/C10H12NO6PS.ClH/c12-9(13)10(14,18(15,16)17)6-8-2-1-3-11(7-8)4-5-19;/h1-3,5,7,14H,4,6H2,(H2-,12,13,15,16,17);1H