4-(2,3-dimethylphenyl)-2-methyl-1H-inden-1-ide; zirconium(2+); dichloride

Systemtic Name: 4-(2,3-dimethylphenyl)-2-methyl-1H-inden-1-ide; zirconium(2+); dichloride Openeye Name: 4-(2,3-dimethylphenyl)-2-methyl-1H-inden-1-ide; zirconium(2+); dichloride CAS Name: 4-(2,3-dimethylphenyl)-2-methyl-1H-inden-1-ide; zirconium(2+); dichloride IUPAC Name: 4-(2,3-dimethylphenyl)-2-methyl-1H-inden-1-ide; zirconium(2+); dichloride Traditional Name: 4-(2,3-dimethylphenyl)-2-methyl-1H-inden-1-ide; zirconium(2+); dichloride Formula: C72H68Cl2Zr2-2 MolecularWeight: 1186.66432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C([CH-]1)C=CC=C2C3=C(C(=CC=C3)C)C.CC1=CC2=C([CH-]1)C=CC=C2C3=C(C(=CC=C3)C)C.CC1=CC2=C([CH-]1)C=CC=C2C3=C(C(=CC=C3)C)C.CC1=CC2=C([CH-]1)C=CC=C2C3=C(C(=CC=C3)C)C.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CC1=CC2=C([CH-]1)C=CC=C2C3=C(C(=CC=C3)C)C.CC1=CC2=C([CH-]1)C=CC=C2C3=C(C(=CC=C3)C)C.CC1=CC2=C([CH-]1)C=CC=C2C3=C(C(=CC=C3)C)C.CC1=CC2=C([CH-]1)C=CC=C2C3=C(C(=CC=C3)C)C.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/4C18H17.2ClH.2Zr/c4*1-12-10-15-7-5-9-17(18(15)11-12)16-8-4-6-13(2)14(16)3;;;;/h4*4-11H,1-3H3;2*1H;;/q4*-1;;;2*+2/p-2