(2-oxidanylidene-4-pyridin-4-yl-butyl)phosphonic acid

Systemtic Name: (2-oxidanylidene-4-pyridin-4-yl-butyl)phosphonic acid Openeye Name: [2-oxo-4-(4-pyridyl)butyl]phosphonic acid CAS Name: (2-oxo-4-pyridin-4-ylbutyl)phosphonic acid IUPAC Name: (2-oxo-4-pyridin-4-ylbutyl)phosphonic acid Traditional Name: [2-keto-4-(4-pyridyl)butyl]phosphonic acid Formula: C9H12NO4P MolecularWeight: 229.169641

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CCC(=O)CP(=O)(O)O

Isomeric SMILES

C1=CN=CC=C1CCC(=O)CP(=O)(O)O

InChI

InChI=1S/C9H12NO4P/c11-9(7-15(12,13)14)2-1-8-3-5-10-6-4-8/h3-6H,1-2,7H2,(H2,12,13,14)