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

Systemtic Name: 2-butyl-1H-inden-1-ide; (diphenylmethylidene)zirconium(2+); dichloride Openeye Name: benzhydrylidenezirconium(2+); 2-butyl-1H-inden-1-ide; dichloride CAS Name: 2-butyl-1H-inden-1-ide; (diphenylmethylene)zirconium(2+); dichloride IUPAC Name: benzhydrylidenezirconium(2+); 2-butyl-1H-inden-1-ide; dichloride Traditional Name: benzhydrylidenezirconium(2+); 2-butyl-1H-inden-1-ide; dichloride Formula: C78H80Cl2Zr2-2 MolecularWeight: 1270.8238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2[CH-]1.CCCCC1=CC2=CC=CC=C2[CH-]1.CCCCC1=CC2=CC=CC=C2[CH-]1.CCCCC1=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

CCCCC1=CC2=CC=CC=C2[CH-]1.CCCCC1=CC2=CC=CC=C2[CH-]1.CCCCC1=CC2=CC=CC=C2[CH-]1.CCCCC1=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/2C13H10.4C13H15.2ClH.2Zr/c2*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;4*1-2-3-6-11-9-12-7-4-5-8-13(12)10-11;;;;/h2*1-10H;4*4-5,7-10H,2-3,6H2,1H3;2*1H;;/q;;4*-1;;;2*+2/p-2