2-ethyl-4-phenyl-1H-inden-1-ide; methylidenezirconium(2+); dichloride

Systemtic Name: 2-ethyl-4-phenyl-1H-inden-1-ide; methylidenezirconium(2+); dichloride Openeye Name: 2-ethyl-4-phenyl-1H-inden-1-ide; methylenezirconium(2+); dichloride CAS Name: 2-ethyl-4-phenyl-1H-inden-1-ide; methylenezirconium(2+); dichloride IUPAC Name: 2-ethyl-4-phenyl-1H-inden-1-ide; methylidenezirconium(2+); dichloride Traditional Name: 2-ethyl-4-phenyl-1H-inden-1-ide; methylenezirconium(2+); dichloride Formula: C70H64Cl2Zr2-2 MolecularWeight: 1158.61116

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CCC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CCC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CCC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.C=[Zr+2].C=[Zr+2].[Cl-].[Cl-]

Isomeric SMILES

CCC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CCC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CCC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CCC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.C=[Zr+2].C=[Zr+2].[Cl-].[Cl-]

InChI

InChI=1S/4C17H15.2CH2.2ClH.2Zr/c4*1-2-13-11-15-9-6-10-16(17(15)12-13)14-7-4-3-5-8-14;;;;;;/h4*3-12H,2H2,1H3;2*1H2;2*1H;;/q4*-1;;;;;2*+2/p-2