1-methyl-2-phenyl-inden-1-ide; zirconium(2+); dichloride

Systemtic Name: 1-methyl-2-phenyl-inden-1-ide; zirconium(2+); dichloride Openeye Name: 1-methyl-2-phenyl-inden-1-ide; zirconium(2+); dichloride CAS Name: 1-methyl-2-phenylinden-1-ide; zirconium(2+); dichloride IUPAC Name: 1-methyl-2-phenylinden-1-ide; zirconium(2+); dichloride Traditional Name: 1-methyl-2-phenyl-inden-1-ide; zirconium(2+); dichloride Formula: C64H52Cl2Zr2-2 MolecularWeight: 1074.45168

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Descriptors Computed from Structure

Canonical SMILES:

C[C-]1C2=CC=CC=C2C=C1C3=CC=CC=C3.C[C-]1C2=CC=CC=C2C=C1C3=CC=CC=C3.C[C-]1C2=CC=CC=C2C=C1C3=CC=CC=C3.C[C-]1C2=CC=CC=C2C=C1C3=CC=CC=C3.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

C[C-]1C2=CC=CC=C2C=C1C3=CC=CC=C3.C[C-]1C2=CC=CC=C2C=C1C3=CC=CC=C3.C[C-]1C2=CC=CC=C2C=C1C3=CC=CC=C3.C[C-]1C2=CC=CC=C2C=C1C3=CC=CC=C3.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

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