(1-oxidanyl-1-phosphono-3-pyridin-1-ium-3-yl-propyl)phosphonic acid

Systemtic Name: (1-oxidanyl-1-phosphono-3-pyridin-1-ium-3-yl-propyl)phosphonic acid Openeye Name: (1-hydroxy-1-phosphono-3-pyridin-1-ium-3-yl-propyl)phosphonic acid CAS Name: [1-hydroxy-1-phosphono-3-(3-pyridin-1-iumyl)propyl]phosphonic acid IUPAC Name: (1-hydroxy-1-phosphono-3-pyridin-1-ium-3-ylpropyl)phosphonic acid Traditional Name: (1-hydroxy-1-phosphono-3-pyridin-1-ium-3-yl-propyl)phosphonic acid Formula: C8H14NO7P2+ MolecularWeight: 298.146782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[NH+]=C1)CCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC(=C[NH+]=C1)CCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C8H13NO7P2/c10-8(17(11,12)13,18(14,15)16)4-3-7-2-1-5-9-6-7/h1-2,5-6,10H,3-4H2,(H2,11,12,13)(H2,14,15,16)/p+1