methylidenezirconium(2+); 1-(phenylmethyl)-1,2-dihydroinden-2-ide; dichloride

Systemtic Name: methylidenezirconium(2+); 1-(phenylmethyl)-1,2-dihydroinden-2-ide; dichloride Openeye Name: 1-benzyl-1,2-dihydroinden-2-ide; methylenezirconium(2+); dichloride CAS Name: methylenezirconium(2+); 1-(phenylmethyl)-1,2-dihydroinden-2-ide; dichloride IUPAC Name: 1-benzyl-1,2-dihydroinden-2-ide; methylidenezirconium(2+); dichloride Traditional Name: 1-benzyl-1,2-dihydroinden-2-ide; methylenezirconium(2+); dichloride Formula: C66H56Cl2Zr2-2 MolecularWeight: 1102.50484

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Descriptors Computed from Structure

Canonical SMILES:

C=[Zr+2].C=[Zr+2].C1=CC=C(C=C1)CC2[C-]=CC3=CC=CC=C23.C1=CC=C(C=C1)CC2[C-]=CC3=CC=CC=C23.C1=CC=C(C=C1)CC2[C-]=CC3=CC=CC=C23.C1=CC=C(C=C1)CC2[C-]=CC3=CC=CC=C23.[Cl-].[Cl-]

Isomeric SMILES

C=[Zr+2].C=[Zr+2].C1=CC=C(C=C1)CC2[C-]=CC3=CC=CC=C23.C1=CC=C(C=C1)CC2[C-]=CC3=CC=CC=C23.C1=CC=C(C=C1)CC2[C-]=CC3=CC=CC=C23.C1=CC=C(C=C1)CC2[C-]=CC3=CC=CC=C23.[Cl-].[Cl-]

InChI

InChI=1S/4C16H13.2CH2.2ClH.2Zr/c4*1-2-6-13(7-3-1)12-15-11-10-14-8-4-5-9-16(14)15;;;;;;/h4*1-10,15H,12H2;2*1H2;2*1H;;/q4*-1;;;;;2*+2/p-2