2-(2,6-dipyridin-2-ylpyridin-4-yl)terephthalate dihydrate

Systemtic Name: 2-(2,6-dipyridin-2-ylpyridin-4-yl)terephthalate dihydrate Openeye Name: 2-[2,6-bis(2-pyridyl)-4-pyridyl]terephthalate dihydrate CAS Name: 2-[2,6-bis(2-pyridinyl)-4-pyridinyl]terephthalate dihydrate IUPAC Name: 2-(2,6-dipyridin-2-ylpyridin-4-yl)terephthalate dihydrate Traditional Name: 2-[2,6-bis(2-pyridyl)-4-pyridyl]terephthalate dihydrate Formula: C23H17N3O6-2 MolecularWeight: 431.39758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)C4=C(C=CC(=C4)C(=O)[O-])C(=O)[O-].O.O

Isomeric SMILES

C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)C4=C(C=CC(=C4)C(=O)[O-])C(=O)[O-].O.O

InChI

InChI=1S/C23H15N3O4.2H2O/c27-22(28)14-7-8-16(23(29)30)17(11-14)15-12-20(18-5-1-3-9-24-18)26-21(13-15)19-6-2-4-10-25-19;;/h1-13H,(H,27,28)(H,29,30);2*1H2/p-2