2-(4-methoxyphenyl)-2-propan-2-yl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride

Systemtic Name: 2-(4-methoxyphenyl)-2-propan-2-yl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride Openeye Name: isopropylidenezirconium(2+); 2-isopropyl-2-(4-methoxyphenyl)-1H-inden-1-ide; dichloride CAS Name: 2-(4-methoxyphenyl)-2-propan-2-yl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride IUPAC Name: 2-(4-methoxyphenyl)-2-propan-2-yl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride Traditional Name: isopropylidenezirconium(2+); 2-isopropyl-2-(4-methoxyphenyl)-1H-inden-1-ide; dichloride Formula: C41H44Cl2O2Zr-2 MolecularWeight: 730.91686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C=C2C=CC=CC2=[C-]1)C3=CC=C(C=C3)OC.CC(C)C1(C=C2C=CC=CC2=[C-]1)C3=CC=C(C=C3)OC.CC(=[Zr+2])C.[Cl-].[Cl-]

Isomeric SMILES

CC(C)C1(C=C2C=CC=CC2=[C-]1)C3=CC=C(C=C3)OC.CC(C)C1(C=C2C=CC=CC2=[C-]1)C3=CC=C(C=C3)OC.CC(=[Zr+2])C.[Cl-].[Cl-]

InChI

InChI=1S/2C19H19O.C3H6.2ClH.Zr/c2*1-14(2)19(17-8-10-18(20-3)11-9-17)12-15-6-4-5-7-16(15)13-19;1-3-2;;;/h2*4-12,14H,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2