(4-oxidanylidene-1-phosphono-4-pyridin-3-yl-butyl)phosphonic acid

Systemtic Name: (4-oxidanylidene-1-phosphono-4-pyridin-3-yl-butyl)phosphonic acid Openeye Name: [4-oxo-1-phosphono-4-(3-pyridyl)butyl]phosphonic acid CAS Name: [4-oxo-1-phosphono-4-(3-pyridinyl)butyl]phosphonic acid IUPAC Name: (4-oxo-1-phosphono-4-pyridin-3-ylbutyl)phosphonic acid Traditional Name: [4-keto-1-phosphono-4-(3-pyridyl)butyl]phosphonic acid Formula: C9H13NO7P2 MolecularWeight: 309.149542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13NO7P2/c11-8(7-2-1-5-10-6-7)3-4-9(18(12,13)14)19(15,16)17/h1-2,5-6,9H,3-4H2,(H2,12,13,14)(H2,15,16,17)