(1-oxidanyl-1-phosphono-2-pyridin-1-ium-1-yl-hexyl)phosphonic acid

Systemtic Name: (1-oxidanyl-1-phosphono-2-pyridin-1-ium-1-yl-hexyl)phosphonic acid Openeye Name: (1-hydroxy-1-phosphono-2-pyridin-1-ium-1-yl-hexyl)phosphonic acid CAS Name: [1-hydroxy-1-phosphono-2-(1-pyridin-1-iumyl)hexyl]phosphonic acid IUPAC Name: (1-hydroxy-1-phosphono-2-pyridin-1-ium-1-ylhexyl)phosphonic acid Traditional Name: (1-hydroxy-1-phosphono-2-pyridin-1-ium-1-yl-hexyl)phosphonic acid Formula: C11H20NO7P2+ MolecularWeight: 340.226522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(O)(P(=O)(O)O)P(=O)(O)O)[N+]1=CC=CC=C1

Isomeric SMILES

CCCCC(C(O)(P(=O)(O)O)P(=O)(O)O)[N+]1=CC=CC=C1

InChI

InChI=1S/C11H19NO7P2/c1-2-3-7-10(12-8-5-4-6-9-12)11(13,20(14,15)16)21(17,18)19/h4-6,8-10,13H,2-3,7H2,1H3,(H3-,14,15,16,17,18,19)/p+1