1-oxidanyl-1-phosphono-2-[1-(2-sulfanylethyl)pyridin-1-ium-3-yl]ethanesulfonic acid chloride

Systemtic Name: 1-oxidanyl-1-phosphono-2-[1-(2-sulfanylethyl)pyridin-1-ium-3-yl]ethanesulfonic acid chloride Openeye Name: 1-hydroxy-1-phosphono-2-[1-(2-sulfanylethyl)pyridin-1-ium-3-yl]ethanesulfonic acid chloride CAS Name: 1-hydroxy-2-[1-(2-mercaptoethyl)-3-pyridin-1-iumyl]-1-phosphonoethanesulfonic acid chloride IUPAC Name: 1-hydroxy-1-phosphono-2-[1-(2-sulfanylethyl)pyridin-1-ium-3-yl]ethanesulfonic acid chloride Traditional Name: 1-hydroxy-2-[1-(2-mercaptoethyl)pyridin-1-ium-3-yl]-1-phosphono-ethanesulfonic acid chloride Formula: C9H15ClNO7PS2 MolecularWeight: 379.774661

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H14NO7PS2.ClH/c11-9(18(12,13)14,20(15,16)17)6-8-2-1-3-10(7-8)4-5-19;/h1-3,7,11H,4-6H2,(H3-,12,13,14,15,16,17,19);1H