4-tert-butyl-2,3,7-trimethyl-1H-inden-1-ide; [methyl(phenyl)silylidene]zirconium(2+); dichloride

Systemtic Name: 4-tert-butyl-2,3,7-trimethyl-1H-inden-1-ide; [methyl(phenyl)silylidene]zirconium(2+); dichloride Openeye Name: 4-tert-butyl-2,3,7-trimethyl-1H-inden-1-ide; [methyl(phenyl)silylidene]zirconium(2+); dichloride CAS Name: 4-tert-butyl-2,3,7-trimethyl-1H-inden-1-ide; [methyl(phenyl)silylidene]zirconium(2+); dichloride IUPAC Name: 4-tert-butyl-2,3,7-trimethyl-1H-inden-1-ide; [methyl(phenyl)silylidene]zirconium(2+); dichloride Traditional Name: 4-tert-butyl-2,3,7-trimethyl-1H-inden-1-ide; [methyl(phenyl)silylidene]zirconium(2+); dichloride Formula: C78H100Cl2Si2Zr2-2 MolecularWeight: 1347.1536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=CC(=C2[CH-]1)C)C(C)(C)C)C.CC1=C(C2=C(C=CC(=C2[CH-]1)C)C(C)(C)C)C.CC1=C(C2=C(C=CC(=C2[CH-]1)C)C(C)(C)C)C.CC1=C(C2=C(C=CC(=C2[CH-]1)C)C(C)(C)C)C.C[Si](=[Zr+2])C1=CC=CC=C1.C[Si](=[Zr+2])C1=CC=CC=C1.[Cl-].[Cl-]

Isomeric SMILES

CC1=C(C2=C(C=CC(=C2[CH-]1)C)C(C)(C)C)C.CC1=C(C2=C(C=CC(=C2[CH-]1)C)C(C)(C)C)C.CC1=C(C2=C(C=CC(=C2[CH-]1)C)C(C)(C)C)C.CC1=C(C2=C(C=CC(=C2[CH-]1)C)C(C)(C)C)C.C[Si](=[Zr+2])C1=CC=CC=C1.C[Si](=[Zr+2])C1=CC=CC=C1.[Cl-].[Cl-]

InChI

InChI=1S/4C16H21.2C7H8Si.2ClH.2Zr/c4*1-10-7-8-14(16(4,5)6)15-12(3)11(2)9-13(10)15;2*1-8-7-5-3-2-4-6-7;;;;/h4*7-9H,1-6H3;2*2-6H,1H3;2*1H;;/q4*-1;;;;;2*+2/p-2