(4-cyano-1-phosphono-3-pyridin-2-yl-butyl)phosphonic acid

Systemtic Name: (4-cyano-1-phosphono-3-pyridin-2-yl-butyl)phosphonic acid Openeye Name: [4-cyano-1-phosphono-3-(2-pyridyl)butyl]phosphonic acid CAS Name: [4-cyano-1-phosphono-3-(2-pyridinyl)butyl]phosphonic acid IUPAC Name: (4-cyano-1-phosphono-3-pyridin-2-ylbutyl)phosphonic acid Traditional Name: [4-cyano-1-phosphono-3-(2-pyridyl)butyl]phosphonic acid Formula: C10H14N2O6P2 MolecularWeight: 320.175482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C(CC#N)CC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=NC(=C1)C(CC#N)CC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C10H14N2O6P2/c11-5-4-8(9-3-1-2-6-12-9)7-10(19(13,14)15)20(16,17)18/h1-3,6,8,10H,4,7H2,(H2,13,14,15)(H2,16,17,18)