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

Systemtic Name: 2-ethyl-5-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]-1-methyl-pyrrole; zirconium(4+); dichloride Openeye Name: 2-ethyl-5-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]-1-methyl-pyrrole; zirconium(4+); dichloride CAS Name: 2-ethyl-5-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]-1-methylpyrrole; zirconium(4+); dichloride IUPAC Name: 2-ethyl-5-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]-1-methylpyrrole; zirconium(4+); dichloride Traditional Name: 2-ethyl-5-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]-1-methyl-pyrrole; zirconium(4+); dichloride Formula: C56H64Cl2N2Zr MolecularWeight: 927.25076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(N4C)CC.CCCCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(N4C)CC.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(N4C)CC.CCCCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(N4C)CC.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C28H32N.2ClH.Zr/c2*1-4-6-7-8-10-21-13-15-22(16-14-21)26-12-9-11-23-19-24(20-27(23)26)28-18-17-25(5-2)29(28)3;;;/h2*9,11-20H,4-8,10H2,1-3H3;2*1H;/q2*-1;;;+4/p-2