(3,5-diethyl-2,6-dipyridin-2-yl-pyridin-4-yl)phosphonic acid

Systemtic Name: (3,5-diethyl-2,6-dipyridin-2-yl-pyridin-4-yl)phosphonic acid Openeye Name: [3,5-diethyl-2,6-bis(2-pyridyl)-4-pyridyl]phosphonic acid CAS Name: [3,5-diethyl-2,6-bis(2-pyridinyl)-4-pyridinyl]phosphonic acid IUPAC Name: (3,5-diethyl-2,6-dipyridin-2-ylpyridin-4-yl)phosphonic acid Traditional Name: [3,5-diethyl-2,6-bis(2-pyridyl)-4-pyridyl]phosphonic acid Formula: C19H20N3O3P MolecularWeight: 369.354161

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(C(=C1P(=O)(O)O)CC)C2=CC=CC=N2)C3=CC=CC=N3

Isomeric SMILES

CCC1=C(N=C(C(=C1P(=O)(O)O)CC)C2=CC=CC=N2)C3=CC=CC=N3

InChI

InChI=1S/C19H20N3O3P/c1-3-13-17(15-9-5-7-11-20-15)22-18(16-10-6-8-12-21-16)14(4-2)19(13)26(23,24)25/h5-12H,3-4H2,1-2H3,(H2,23,24,25)