(1-phosphono-4-pyridin-3-yl-but-3-ynyl)phosphonic acid

Systemtic Name: (1-phosphono-4-pyridin-3-yl-but-3-ynyl)phosphonic acid Openeye Name: [1-phosphono-4-(3-pyridyl)but-3-ynyl]phosphonic acid CAS Name: [1-phosphono-4-(3-pyridinyl)but-3-ynyl]phosphonic acid IUPAC Name: (1-phosphono-4-pyridin-3-ylbut-3-ynyl)phosphonic acid Traditional Name: [1-phosphono-4-(3-pyridyl)but-3-ynyl]phosphonic acid Formula: C9H11NO6P2 MolecularWeight: 291.134262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO6P2/c11-17(12,13)9(18(14,15)16)5-1-3-8-4-2-6-10-7-8/h2,4,6-7,9H,5H2,(H2,11,12,13)(H2,14,15,16)