2-(2-naphthalen-1-yl-1H-inden-1-id-2-yl)furan; zirconium(2+); dichloride

Systemtic Name: 2-(2-naphthalen-1-yl-1H-inden-1-id-2-yl)furan; zirconium(2+); dichloride Openeye Name: 2-[2-(1-naphthyl)-1H-inden-1-id-2-yl]furan; zirconium(2+); dichloride CAS Name: 2-[2-(1-naphthalenyl)-1H-inden-1-id-2-yl]furan; zirconium(2+); dichloride IUPAC Name: 2-(2-naphthalen-1-yl-1H-inden-1-id-2-yl)furan; zirconium(2+); dichloride Traditional Name: 2-[2-(1-naphthyl)-1H-inden-1-id-2-yl]furan; zirconium(2+); dichloride Formula: C46H30Cl2O2Zr-2 MolecularWeight: 776.8592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C3(C=C4C=CC=CC4=[C-]3)C5=CC=CO5.C1=CC=C2C(=C1)C=CC=C2C3(C=C4C=CC=CC4=[C-]3)C5=CC=CO5.[Cl-].[Cl-].[Zr+2]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C3(C=C4C=CC=CC4=[C-]3)C5=CC=CO5.C1=CC=C2C(=C1)C=CC=C2C3(C=C4C=CC=CC4=[C-]3)C5=CC=CO5.[Cl-].[Cl-].[Zr+2]

InChI

InChI=1S/2C23H15O.2ClH.Zr/c2*1-2-9-19-16-23(15-18(19)8-1,22-13-6-14-24-22)21-12-5-10-17-7-3-4-11-20(17)21;;;/h2*1-15H;2*1H;/q2*-1;;;+2/p-2