4-phenyl-1H-inden-1-ide; zirconium(2+); dichloride

Systemtic Name: 4-phenyl-1H-inden-1-ide; zirconium(2+); dichloride Openeye Name: 4-phenyl-1H-inden-1-ide; zirconium(2+); dichloride CAS Name: 4-phenyl-1H-inden-1-ide; zirconium(2+); dichloride IUPAC Name: 4-phenyl-1H-inden-1-ide; zirconium(2+); dichloride Traditional Name: 4-phenyl-1H-inden-1-ide; zirconium(2+); dichloride Formula: C60H44Cl2Zr2-2 MolecularWeight: 1018.34536

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C=CC2=C1C=CC=C2C3=CC=CC=C3.[CH-]1C=CC2=C1C=CC=C2C3=CC=CC=C3.[CH-]1C=CC2=C1C=CC=C2C3=CC=CC=C3.[CH-]1C=CC2=C1C=CC=C2C3=CC=CC=C3.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

[CH-]1C=CC2=C1C=CC=C2C3=CC=CC=C3.[CH-]1C=CC2=C1C=CC=C2C3=CC=CC=C3.[CH-]1C=CC2=C1C=CC=C2C3=CC=CC=C3.[CH-]1C=CC2=C1C=CC=C2C3=CC=CC=C3.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

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