4,6-dimethyl-2-phenyl-1H-inden-1-ide; zirconium(2+); dichloride

Systemtic Name: 4,6-dimethyl-2-phenyl-1H-inden-1-ide; zirconium(2+); dichloride Openeye Name: 4,6-dimethyl-2-phenyl-1H-inden-1-ide; zirconium(2+); dichloride CAS Name: 4,6-dimethyl-2-phenyl-1H-inden-1-ide; zirconium(2+); dichloride IUPAC Name: 4,6-dimethyl-2-phenyl-1H-inden-1-ide; zirconium(2+); dichloride Traditional Name: 4,6-dimethyl-2-phenyl-1H-inden-1-ide; zirconium(2+); dichloride Formula: C68H60Cl2Zr2-2 MolecularWeight: 1130.558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C([CH-]C2=C1)C3=CC=CC=C3)C.CC1=CC(=C2C=C([CH-]C2=C1)C3=CC=CC=C3)C.CC1=CC(=C2C=C([CH-]C2=C1)C3=CC=CC=C3)C.CC1=CC(=C2C=C([CH-]C2=C1)C3=CC=CC=C3)C.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CC1=CC(=C2C=C([CH-]C2=C1)C3=CC=CC=C3)C.CC1=CC(=C2C=C([CH-]C2=C1)C3=CC=CC=C3)C.CC1=CC(=C2C=C([CH-]C2=C1)C3=CC=CC=C3)C.CC1=CC(=C2C=C([CH-]C2=C1)C3=CC=CC=C3)C.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/4C17H15.2ClH.2Zr/c4*1-12-8-13(2)17-11-15(10-16(17)9-12)14-6-4-3-5-7-14;;;;/h4*3-11H,1-2H3;2*1H;;/q4*-1;;;2*+2/p-2