2-methyl-4-(2,4,6-trimethylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride

Systemtic Name: 2-methyl-4-(2,4,6-trimethylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride Openeye Name: 2-methyl-4-(2,4,6-trimethylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride CAS Name: 2-methyl-4-(2,4,6-trimethylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride IUPAC Name: 2-methyl-4-(2,4,6-trimethylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride Traditional Name: 4-mesityl-2-methyl-1H-inden-1-ide; zirconium(2+); dichloride Formula: C76H76Cl2Zr2-2 MolecularWeight: 1242.77064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C([CH-]1)C=CC=C2C3=C(C=C(C=C3C)C)C.CC1=CC2=C([CH-]1)C=CC=C2C3=C(C=C(C=C3C)C)C.CC1=CC2=C([CH-]1)C=CC=C2C3=C(C=C(C=C3C)C)C.CC1=CC2=C([CH-]1)C=CC=C2C3=C(C=C(C=C3C)C)C.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CC1=CC2=C([CH-]1)C=CC=C2C3=C(C=C(C=C3C)C)C.CC1=CC2=C([CH-]1)C=CC=C2C3=C(C=C(C=C3C)C)C.CC1=CC2=C([CH-]1)C=CC=C2C3=C(C=C(C=C3C)C)C.CC1=CC2=C([CH-]1)C=CC=C2C3=C(C=C(C=C3C)C)C.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/4C19H19.2ClH.2Zr/c4*1-12-8-14(3)19(15(4)9-12)17-7-5-6-16-10-13(2)11-18(16)17;;;;/h4*5-11H,1-4H3;2*1H;;/q4*-1;;;2*+2/p-2