1-(2-ethylphenyl)inden-1-ide; zirconium(2+); dichloride

Systemtic Name: 1-(2-ethylphenyl)inden-1-ide; zirconium(2+); dichloride Openeye Name: 1-(2-ethylphenyl)inden-1-ide; zirconium(2+); dichloride CAS Name: 1-(2-ethylphenyl)inden-1-ide; zirconium(2+); dichloride IUPAC Name: 1-(2-ethylphenyl)inden-1-ide; zirconium(2+); dichloride Traditional Name: 1-(2-ethylphenyl)inden-1-ide; zirconium(2+); dichloride Formula: C68H60Cl2Zr2-2 MolecularWeight: 1130.558

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1[C-]2C=CC3=CC=CC=C23.CCC1=CC=CC=C1[C-]2C=CC3=CC=CC=C23.CCC1=CC=CC=C1[C-]2C=CC3=CC=CC=C23.CCC1=CC=CC=C1[C-]2C=CC3=CC=CC=C23.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CCC1=CC=CC=C1[C-]2C=CC3=CC=CC=C23.CCC1=CC=CC=C1[C-]2C=CC3=CC=CC=C23.CCC1=CC=CC=C1[C-]2C=CC3=CC=CC=C23.CCC1=CC=CC=C1[C-]2C=CC3=CC=CC=C23.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

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