2-[4-(4-ethylphenyl)-1H-inden-1-id-2-yl]-1-methyl-5-phenyl-pyrrole; zirconium(4+); dichloride

Systemtic Name: 2-[4-(4-ethylphenyl)-1H-inden-1-id-2-yl]-1-methyl-5-phenyl-pyrrole; zirconium(4+); dichloride Openeye Name: 2-[4-(4-ethylphenyl)-1H-inden-1-id-2-yl]-1-methyl-5-phenyl-pyrrole; zirconium(4+); dichloride CAS Name: 2-[4-(4-ethylphenyl)-1H-inden-1-id-2-yl]-1-methyl-5-phenylpyrrole; zirconium(4+); dichloride IUPAC Name: 2-[4-(4-ethylphenyl)-1H-inden-1-id-2-yl]-1-methyl-5-phenylpyrrole; zirconium(4+); dichloride Traditional Name: 2-[4-(4-ethylphenyl)-1H-inden-1-id-2-yl]-1-methyl-5-phenyl-pyrrole; zirconium(4+); dichloride Formula: C56H48Cl2N2Zr MolecularWeight: 911.12372

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(N4C)C5=CC=CC=C5.CCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(N4C)C5=CC=CC=C5.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(N4C)C5=CC=CC=C5.CCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(N4C)C5=CC=CC=C5.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C28H24N.2ClH.Zr/c2*1-3-20-12-14-21(15-13-20)25-11-7-10-23-18-24(19-26(23)25)28-17-16-27(29(28)2)22-8-5-4-6-9-22;;;/h2*4-19H,3H2,1-2H3;2*1H;/q2*-1;;;+4/p-2