3-(diphenylmethyl)-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride

Systemtic Name: 3-(diphenylmethyl)-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride Openeye Name: 3-benzhydryl-1H-inden-1-ide; isopropylidenezirconium(2+); dichloride CAS Name: 3-(diphenylmethyl)-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride IUPAC Name: 3-benzhydryl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride Traditional Name: 3-benzhydryl-1H-inden-1-ide; isopropylidenezirconium(2+); dichloride Formula: C94H80Cl2Zr2-2 MolecularWeight: 1462.995

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[Zr+2])C.CC(=[Zr+2])C.[CH-]1C=C(C2=CC=CC=C21)C(C3=CC=CC=C3)C4=CC=CC=C4.[CH-]1C=C(C2=CC=CC=C21)C(C3=CC=CC=C3)C4=CC=CC=C4.[CH-]1C=C(C2=CC=CC=C21)C(C3=CC=CC=C3)C4=CC=CC=C4.[CH-]1C=C(C2=CC=CC=C21)C(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-].[Cl-]

Isomeric SMILES

CC(=[Zr+2])C.CC(=[Zr+2])C.[CH-]1C=C(C2=CC=CC=C21)C(C3=CC=CC=C3)C4=CC=CC=C4.[CH-]1C=C(C2=CC=CC=C21)C(C3=CC=CC=C3)C4=CC=CC=C4.[CH-]1C=C(C2=CC=CC=C21)C(C3=CC=CC=C3)C4=CC=CC=C4.[CH-]1C=C(C2=CC=CC=C21)C(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-].[Cl-]

InChI

InChI=1S/4C22H17.2C3H6.2ClH.2Zr/c4*1-3-10-18(11-4-1)22(19-12-5-2-6-13-19)21-16-15-17-9-7-8-14-20(17)21;2*1-3-2;;;;/h4*1-16,22H;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2