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

Systemtic Name: 2-ethyl-5-[4-(4-ethylphenyl)-1H-inden-1-id-2-yl]-1-methyl-pyrrole; zirconium(4+); dichloride Openeye Name: 2-ethyl-5-[4-(4-ethylphenyl)-1H-inden-1-id-2-yl]-1-methyl-pyrrole; zirconium(4+); dichloride CAS Name: 2-ethyl-5-[4-(4-ethylphenyl)-1H-inden-1-id-2-yl]-1-methylpyrrole; zirconium(4+); dichloride IUPAC Name: 2-ethyl-5-[4-(4-ethylphenyl)-1H-inden-1-id-2-yl]-1-methylpyrrole; zirconium(4+); dichloride Traditional Name: 2-ethyl-5-[4-(4-ethylphenyl)-1H-inden-1-id-2-yl]-1-methyl-pyrrole; zirconium(4+); dichloride Formula: C48H48Cl2N2Zr MolecularWeight: 815.03812

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

Isomeric SMILES

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

InChI

InChI=1S/2C24H24N.2ClH.Zr/c2*1-4-17-9-11-18(12-10-17)22-8-6-7-19-15-20(16-23(19)22)24-14-13-21(5-2)25(24)3;;;/h2*6-16H,4-5H2,1-3H3;2*1H;/q2*-1;;;+4/p-2