[3-[2-(3-fluoranyl-4-phenyl-phenyl)propanoyl]-5-phosphono-1,4-dihydropyrazol-5-yl]phosphonic acid

Systemtic Name: [3-[2-(3-fluoranyl-4-phenyl-phenyl)propanoyl]-5-phosphono-1,4-dihydropyrazol-5-yl]phosphonic acid Openeye Name: [3-[2-(3-fluoro-4-phenyl-phenyl)propanoyl]-5-phosphono-1,4-dihydropyrazol-5-yl]phosphonic acid CAS Name: [3-[2-(3-fluoro-4-phenylphenyl)-1-oxopropyl]-5-phosphono-1,4-dihydropyrazol-5-yl]phosphonic acid IUPAC Name: [3-[2-(3-fluoro-4-phenylphenyl)propanoyl]-5-phosphono-1,4-dihydropyrazol-5-yl]phosphonic acid Traditional Name: [5-[2-(3-fluoro-4-phenyl-phenyl)propanoyl]-3-phosphono-2-pyrazolin-3-yl]phosphonic acid Formula: C18H19FN2O7P2 MolecularWeight: 456.298585

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)C3=NNC(C3)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)C3=NNC(C3)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C18H19FN2O7P2/c1-11(13-7-8-14(15(19)9-13)12-5-3-2-4-6-12)17(22)16-10-18(21-20-16,29(23,24)25)30(26,27)28/h2-9,11,21H,10H2,1H3,(H2,23,24,25)(H2,26,27,28)