[3,4-bis(oxidanylidene)-1-phosphono-4-pyridin-3-yl-butyl]phosphonic acid

Systemtic Name: [3,4-bis(oxidanylidene)-1-phosphono-4-pyridin-3-yl-butyl]phosphonic acid Openeye Name: [3,4-dioxo-1-phosphono-4-(3-pyridyl)butyl]phosphonic acid CAS Name: [3,4-dioxo-1-phosphono-4-(3-pyridinyl)butyl]phosphonic acid IUPAC Name: (3,4-dioxo-1-phosphono-4-pyridin-3-ylbutyl)phosphonic acid Traditional Name: [3,4-diketo-1-phosphono-4-(3-pyridyl)butyl]phosphonic acid Formula: C9H11NO8P2 MolecularWeight: 323.133062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO8P2/c11-7(9(12)6-2-1-3-10-5-6)4-8(19(13,14)15)20(16,17)18/h1-3,5,8H,4H2,(H2,13,14,15)(H2,16,17,18)