8-(2-phenyl-1H-inden-1-id-4-yl)quinoline; zirconium(2+); dichloride

Systemtic Name: 8-(2-phenyl-1H-inden-1-id-4-yl)quinoline; zirconium(2+); dichloride Openeye Name: 8-(2-phenyl-1H-inden-1-id-4-yl)quinoline; zirconium(2+); dichloride CAS Name: 8-(2-phenyl-1H-inden-1-id-4-yl)quinoline; zirconium(2+); dichloride IUPAC Name: 8-(2-phenyl-1H-inden-1-id-4-yl)quinoline; zirconium(2+); dichloride Traditional Name: 8-(2-phenyl-1H-inden-1-id-4-yl)quinoline; zirconium(2+); dichloride Formula: C48H32Cl2N2Zr2 MolecularWeight: 890.13508

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C2=C(C=C1C3=CC=CC=C3)C(=CC=C2)C4=CC=CC5=C4N=CC=C5.[CH-]1C2=C(C=C1C3=CC=CC=C3)C(=CC=C2)C4=CC=CC5=C4N=CC=C5.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

[CH-]1C2=C(C=C1C3=CC=CC=C3)C(=CC=C2)C4=CC=CC5=C4N=CC=C5.[CH-]1C2=C(C=C1C3=CC=CC=C3)C(=CC=C2)C4=CC=CC5=C4N=CC=C5.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/2C24H16N.2ClH.2Zr/c2*1-2-7-17(8-3-1)20-15-19-10-5-12-21(23(19)16-20)22-13-4-9-18-11-6-14-25-24(18)22;;;;/h2*1-16H;2*1H;;/q2*-1;;;2*+2/p-2