[1-phosphono-2-[1-(3-sulfanylpropyl)pyridin-1-ium-3-yl]ethyl]phosphonic acid

Systemtic Name: [1-phosphono-2-[1-(3-sulfanylpropyl)pyridin-1-ium-3-yl]ethyl]phosphonic acid Openeye Name: [1-phosphono-2-[1-(3-sulfanylpropyl)pyridin-1-ium-3-yl]ethyl]phosphonic acid CAS Name: [2-[1-(3-mercaptopropyl)-3-pyridin-1-iumyl]-1-phosphonoethyl]phosphonic acid IUPAC Name: [1-phosphono-2-[1-(3-sulfanylpropyl)pyridin-1-ium-3-yl]ethyl]phosphonic acid Traditional Name: [2-[1-(3-mercaptopropyl)pyridin-1-ium-3-yl]-1-phosphono-ethyl]phosphonic acid Formula: C10H18NO6P2S+ MolecularWeight: 342.265542

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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)/p+1