[4-(4-methoxyphenyl)-4-oxidanylidene-1-phosphono-3-pyridin-2-yl-butyl]phosphonic acid

Systemtic Name: [4-(4-methoxyphenyl)-4-oxidanylidene-1-phosphono-3-pyridin-2-yl-butyl]phosphonic acid Openeye Name: [4-(4-methoxyphenyl)-4-oxo-1-phosphono-3-(2-pyridyl)butyl]phosphonic acid CAS Name: [4-(4-methoxyphenyl)-4-oxo-1-phosphono-3-(2-pyridinyl)butyl]phosphonic acid IUPAC Name: [4-(4-methoxyphenyl)-4-oxo-1-phosphono-3-pyridin-2-ylbutyl]phosphonic acid Traditional Name: [4-keto-4-(4-methoxyphenyl)-1-phosphono-3-(2-pyridyl)butyl]phosphonic acid Formula: C16H19NO8P2 MolecularWeight: 415.271482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(CC(P(=O)(O)O)P(=O)(O)O)C2=CC=CC=N2

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C(CC(P(=O)(O)O)P(=O)(O)O)C2=CC=CC=N2

InChI

InChI=1S/C16H19NO8P2/c1-25-12-7-5-11(6-8-12)16(18)13(14-4-2-3-9-17-14)10-15(26(19,20)21)27(22,23)24/h2-9,13,15H,10H2,1H3,(H2,19,20,21)(H2,22,23,24)