(4-oxidanylidene-1-phosphono-4-pyridin-4-yl-butyl)phosphonic acid

Systemtic Name: (4-oxidanylidene-1-phosphono-4-pyridin-4-yl-butyl)phosphonic acid Openeye Name: [4-oxo-1-phosphono-4-(4-pyridyl)butyl]phosphonic acid CAS Name: (4-oxo-1-phosphono-4-pyridin-4-ylbutyl)phosphonic acid IUPAC Name: (4-oxo-1-phosphono-4-pyridin-4-ylbutyl)phosphonic acid Traditional Name: [4-keto-1-phosphono-4-(4-pyridyl)butyl]phosphonic acid Formula: C9H13NO7P2 MolecularWeight: 309.149542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C(=O)CCC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CN=CC=C1C(=O)CCC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C9H13NO7P2/c11-8(7-3-5-10-6-4-7)1-2-9(18(12,13)14)19(15,16)17/h3-6,9H,1-2H2,(H2,12,13,14)(H2,15,16,17)