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

Systemtic Name: (1-phosphono-3-pyridin-1-ium-1-yl-propyl)phosphonic acid Openeye Name: (1-phosphono-3-pyridin-1-ium-1-yl-propyl)phosphonic acid CAS Name: [1-phosphono-3-(1-pyridin-1-iumyl)propyl]phosphonic acid IUPAC Name: (1-phosphono-3-pyridin-1-ium-1-ylpropyl)phosphonic acid Traditional Name: (1-phosphono-3-pyridin-1-ium-1-yl-propyl)phosphonic acid Formula: C8H14NO6P2+ MolecularWeight: 282.147382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H13NO6P2/c10-16(11,12)8(17(13,14)15)4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2,(H3-,10,11,12,13,14,15)/p+1