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

Systemtic Name: 2-[4-(4-butylphenyl)-1H-inden-1-id-2-yl]-5-ethyl-1-methyl-pyrrole; zirconium(4+); dichloride Openeye Name: 2-[4-(4-butylphenyl)-1H-inden-1-id-2-yl]-5-ethyl-1-methyl-pyrrole; zirconium(4+); dichloride CAS Name: 2-[4-(4-butylphenyl)-1H-inden-1-id-2-yl]-5-ethyl-1-methylpyrrole; zirconium(4+); dichloride IUPAC Name: 2-[4-(4-butylphenyl)-1H-inden-1-id-2-yl]-5-ethyl-1-methylpyrrole; zirconium(4+); dichloride Traditional Name: 2-[4-(4-butylphenyl)-1H-inden-1-id-2-yl]-5-ethyl-1-methyl-pyrrole; zirconium(4+); dichloride Formula: C52H56Cl2N2Zr MolecularWeight: 871.14444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(N4C)CC.CCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(N4C)CC.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(N4C)CC.CCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(N4C)CC.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C26H28N.2ClH.Zr/c2*1-4-6-8-19-11-13-20(14-12-19)24-10-7-9-21-17-22(18-25(21)24)26-16-15-23(5-2)27(26)3;;;/h2*7,9-18H,4-6,8H2,1-3H3;2*1H;/q2*-1;;;+4/p-2