oxidanyl-[1-phosphono-2-[1-(3-sulfanylpropyl)pyridin-1-ium-3-yl]ethyl]phosphinate

Systemtic Name: oxidanyl-[1-phosphono-2-[1-(3-sulfanylpropyl)pyridin-1-ium-3-yl]ethyl]phosphinate Openeye Name: hydroxy-[1-phosphono-2-[1-(3-sulfanylpropyl)pyridin-1-ium-3-yl]ethyl]phosphinate CAS Name: hydroxy-[2-[1-(3-mercaptopropyl)-3-pyridin-1-iumyl]-1-phosphonoethyl]phosphinate IUPAC Name: hydroxy-[1-phosphono-2-[1-(3-sulfanylpropyl)pyridin-1-ium-3-yl]ethyl]phosphinate Traditional Name: hydroxy-[2-[1-(3-mercaptopropyl)pyridin-1-ium-3-yl]-1-phosphono-ethyl]phosphinate Formula: C10H17NO6P2S MolecularWeight: 341.257602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CCCS)CC(P(=O)(O)O)P(=O)(O)[O-]

Isomeric SMILES

C1=CC(=C[N+](=C1)CCCS)CC(P(=O)(O)O)P(=O)(O)[O-]

InChI

InChI=1S/C10H17NO6P2S/c12-18(13,14)10(19(15,16)17)7-9-3-1-4-11(8-9)5-2-6-20/h1,3-4,8,10H,2,5-7H2,(H4-,12,13,14,15,16,17,20)