1-phenylinden-1-ide; zirconium(2+); dichloride

Systemtic Name: 1-phenylinden-1-ide; zirconium(2+); dichloride Openeye Name: 1-phenylinden-1-ide; zirconium(2+); dichloride CAS Name: 1-phenylinden-1-ide; zirconium(2+); dichloride IUPAC Name: 1-phenylinden-1-ide; zirconium(2+); dichloride Traditional Name: 1-phenylinden-1-ide; zirconium(2+); dichloride Formula: C60H44Cl2Zr2-2 MolecularWeight: 1018.34536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[C-]2C=CC3=CC=CC=C23.C1=CC=C(C=C1)[C-]2C=CC3=CC=CC=C23.C1=CC=C(C=C1)[C-]2C=CC3=CC=CC=C23.C1=CC=C(C=C1)[C-]2C=CC3=CC=CC=C23.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

C1=CC=C(C=C1)[C-]2C=CC3=CC=CC=C23.C1=CC=C(C=C1)[C-]2C=CC3=CC=CC=C23.C1=CC=C(C=C1)[C-]2C=CC3=CC=CC=C23.C1=CC=C(C=C1)[C-]2C=CC3=CC=CC=C23.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/4C15H11.2ClH.2Zr/c4*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;;;;/h4*1-11H;2*1H;;/q4*-1;;;2*+2/p-2