2-[4-(4-butan-2-ylphenyl)-1H-inden-1-id-2-yl]-1,5-dimethyl-pyrrole; zirconium(4+); dichloride

Systemtic Name: 2-[4-(4-butan-2-ylphenyl)-1H-inden-1-id-2-yl]-1,5-dimethyl-pyrrole; zirconium(4+); dichloride Openeye Name: 1,2-dimethyl-5-[4-(4-sec-butylphenyl)-1H-inden-1-id-2-yl]pyrrole; zirconium(4+); dichloride CAS Name: 2-[4-(4-butan-2-ylphenyl)-1H-inden-1-id-2-yl]-1,5-dimethylpyrrole; zirconium(4+); dichloride IUPAC Name: 2-[4-(4-butan-2-ylphenyl)-1H-inden-1-id-2-yl]-1,5-dimethylpyrrole; zirconium(4+); dichloride Traditional Name: 1,2-dimethyl-5-[4-(4-sec-butylphenyl)-1H-inden-1-id-2-yl]pyrrole; zirconium(4+); dichloride Formula: C50H52Cl2N2Zr MolecularWeight: 843.09128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C25H26N.2ClH.Zr/c2*1-5-17(2)19-10-12-20(13-11-19)23-8-6-7-21-15-22(16-24(21)23)25-14-9-18(3)26(25)4;;;/h2*6-17H,5H2,1-4H3;2*1H;/q2*-1;;;+4/p-2