methylidenezirconium(2+); 3-(2-phenylpropyl)-1H-inden-1-ide; dichloride

Systemtic Name: methylidenezirconium(2+); 3-(2-phenylpropyl)-1H-inden-1-ide; dichloride Openeye Name: methylenezirconium(2+); 3-(2-phenylpropyl)-1H-inden-1-ide; dichloride CAS Name: methylenezirconium(2+); 3-(2-phenylpropyl)-1H-inden-1-ide; dichloride IUPAC Name: methylidenezirconium(2+); 3-(2-phenylpropyl)-1H-inden-1-ide; dichloride Traditional Name: methylenezirconium(2+); 3-(2-phenylpropyl)-1H-inden-1-ide; dichloride Formula: C74H72Cl2Zr2-2 MolecularWeight: 1214.71748

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C[CH-]C2=CC=CC=C21)C3=CC=CC=C3.CC(CC1=C[CH-]C2=CC=CC=C21)C3=CC=CC=C3.CC(CC1=C[CH-]C2=CC=CC=C21)C3=CC=CC=C3.CC(CC1=C[CH-]C2=CC=CC=C21)C3=CC=CC=C3.C=[Zr+2].C=[Zr+2].[Cl-].[Cl-]

Isomeric SMILES

CC(CC1=C[CH-]C2=CC=CC=C21)C3=CC=CC=C3.CC(CC1=C[CH-]C2=CC=CC=C21)C3=CC=CC=C3.CC(CC1=C[CH-]C2=CC=CC=C21)C3=CC=CC=C3.CC(CC1=C[CH-]C2=CC=CC=C21)C3=CC=CC=C3.C=[Zr+2].C=[Zr+2].[Cl-].[Cl-]

InChI

InChI=1S/4C18H17.2CH2.2ClH.2Zr/c4*1-14(15-7-3-2-4-8-15)13-17-12-11-16-9-5-6-10-18(16)17;;;;;;/h4*2-12,14H,13H2,1H3;2*1H2;2*1H;;/q4*-1;;;;;2*+2/p-2