1,2-dihydroinden-2-id-1-yl(diphenyl)phosphane; methylidenezirconium(2+); dichloride

Systemtic Name: 1,2-dihydroinden-2-id-1-yl(diphenyl)phosphane; methylidenezirconium(2+); dichloride Openeye Name: 1,2-dihydroinden-2-id-1-yl(diphenyl)phosphane; methylenezirconium(2+); dichloride CAS Name: 1,2-dihydroinden-2-id-1-yl(diphenyl)phosphine; methylenezirconium(2+); dichloride IUPAC Name: 1,2-dihydroinden-2-id-1-yl(diphenyl)phosphane; methylidenezirconium(2+); dichloride Traditional Name: 1,2-dihydroinden-2-id-1-yl(diphenyl)phosphine; methylenezirconium(2+); dichloride Formula: C86H68Cl2P4Zr2-2 MolecularWeight: 1478.709164

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Descriptors Computed from Structure

Canonical SMILES:

C=[Zr+2].C=[Zr+2].C1=CC=C(C=C1)P(C2[C-]=CC3=CC=CC=C23)C4=CC=CC=C4.C1=CC=C(C=C1)P(C2[C-]=CC3=CC=CC=C23)C4=CC=CC=C4.C1=CC=C(C=C1)P(C2[C-]=CC3=CC=CC=C23)C4=CC=CC=C4.C1=CC=C(C=C1)P(C2[C-]=CC3=CC=CC=C23)C4=CC=CC=C4.[Cl-].[Cl-]

Isomeric SMILES

C=[Zr+2].C=[Zr+2].C1=CC=C(C=C1)P(C2[C-]=CC3=CC=CC=C23)C4=CC=CC=C4.C1=CC=C(C=C1)P(C2[C-]=CC3=CC=CC=C23)C4=CC=CC=C4.C1=CC=C(C=C1)P(C2[C-]=CC3=CC=CC=C23)C4=CC=CC=C4.C1=CC=C(C=C1)P(C2[C-]=CC3=CC=CC=C23)C4=CC=CC=C4.[Cl-].[Cl-]

InChI

InChI=1S/4C21H16P.2CH2.2ClH.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;;;;;;/h4*1-15,21H;2*1H2;2*1H;;/q4*-1;;;;;2*+2/p-2