(diphenylmethylidene)zirconium(2+); 2-propan-2-yl-1H-inden-1-ide; dichloride

Systemtic Name: (diphenylmethylidene)zirconium(2+); 2-propan-2-yl-1H-inden-1-ide; dichloride Openeye Name: benzhydrylidenezirconium(2+); 2-isopropyl-1H-inden-1-ide; dichloride CAS Name: (diphenylmethylene)zirconium(2+); 2-propan-2-yl-1H-inden-1-ide; dichloride IUPAC Name: benzhydrylidenezirconium(2+); 2-propan-2-yl-1H-inden-1-ide; dichloride Traditional Name: benzhydrylidenezirconium(2+); 2-isopropyl-1H-inden-1-ide; dichloride Formula: C74H72Cl2Zr2-2 MolecularWeight: 1214.71748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=CC=CC=C2[CH-]1.CC(C)C1=CC2=CC=CC=C2[CH-]1.CC(C)C1=CC2=CC=CC=C2[CH-]1.CC(C)C1=CC2=CC=CC=C2[CH-]1.C1=CC=C(C=C1)C(=[Zr+2])C2=CC=CC=C2.C1=CC=C(C=C1)C(=[Zr+2])C2=CC=CC=C2.[Cl-].[Cl-]

Isomeric SMILES

CC(C)C1=CC2=CC=CC=C2[CH-]1.CC(C)C1=CC2=CC=CC=C2[CH-]1.CC(C)C1=CC2=CC=CC=C2[CH-]1.CC(C)C1=CC2=CC=CC=C2[CH-]1.C1=CC=C(C=C1)C(=[Zr+2])C2=CC=CC=C2.C1=CC=C(C=C1)C(=[Zr+2])C2=CC=CC=C2.[Cl-].[Cl-]

InChI

InChI=1S/2C13H10.4C12H13.2ClH.2Zr/c2*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;4*1-9(2)12-7-10-5-3-4-6-11(10)8-12;;;;/h2*1-10H;4*3-9H,1-2H3;2*1H;;/q;;4*-1;;;2*+2/p-2