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

Systemtic Name: methylidenezirconium(2+); 2-methyl-4-phenyl-1H-inden-1-ide; dichloride Openeye Name: methylenezirconium(2+); 2-methyl-4-phenyl-1H-inden-1-ide; dichloride CAS Name: methylenezirconium(2+); 2-methyl-4-phenyl-1H-inden-1-ide; dichloride IUPAC Name: methylidenezirconium(2+); 2-methyl-4-phenyl-1H-inden-1-ide; dichloride Traditional Name: methylenezirconium(2+); 2-methyl-4-phenyl-1H-inden-1-ide; dichloride Formula: C66H56Cl2Zr2-2 MolecularWeight: 1102.50484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.C=[Zr+2].C=[Zr+2].[Cl-].[Cl-]

Isomeric SMILES

CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.C=[Zr+2].C=[Zr+2].[Cl-].[Cl-]

InChI

InChI=1S/4C16H13.2CH2.2ClH.2Zr/c4*1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;;;;;;/h4*2-11H,1H3;2*1H2;2*1H;;/q4*-1;;;;;2*+2/p-2