zinc (3Z)-3-[(4,6-diphenylpyrimidin-2-yl)methylidene]isoindol-1-olate

Systemtic Name: zinc (3Z)-3-[(4,6-diphenylpyrimidin-2-yl)methylidene]isoindol-1-olate Openeye Name: zinc (3Z)-3-[(4,6-diphenylpyrimidin-2-yl)methylene]isoindol-1-olate CAS Name: zinc (3Z)-3-[(4,6-diphenyl-2-pyrimidinyl)methylidene]-1-isoindololate IUPAC Name: zinc (3Z)-3-[(4,6-diphenylpyrimidin-2-yl)methylidene]isoindol-1-olate Traditional Name: zinc (3Z)-3-[(4,6-diphenylpyrimidin-2-yl)methylene]isoindol-1-olate Formula: C50H32N6O2Zn MolecularWeight: 814.23708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)C=C3C4=CC=CC=C4C(=N3)[O-])C5=CC=CC=C5.C1=CC=C(C=C1)C2=CC(=NC(=N2)C=C3C4=CC=CC=C4C(=N3)[O-])C5=CC=CC=C5.[Zn+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)/C=C/3\N=C(C4=CC=CC=C34)[O-])C5=CC=CC=C5.C1=CC=C(C=C1)C2=CC(=NC(=N2)/C=C/3\N=C(C4=CC=CC=C34)[O-])C5=CC=CC=C5.[Zn+2]

InChI

InChI=1S/2C25H17N3O.Zn/c2*29-25-20-14-8-7-13-19(20)23(28-25)16-24-26-21(17-9-3-1-4-10-17)15-22(27-24)18-11-5-2-6-12-18;/h2*1-16H,(H,28,29);/q;;+2/p-2/b2*23-16-;