2-(4-tert-butyl-1H-inden-1-id-2-yl)-1-methyl-5-propyl-pyrrole; zirconium(4+); dichloride

Systemtic Name: 2-(4-tert-butyl-1H-inden-1-id-2-yl)-1-methyl-5-propyl-pyrrole; zirconium(4+); dichloride Openeye Name: 2-(4-tert-butyl-1H-inden-1-id-2-yl)-1-methyl-5-propyl-pyrrole; zirconium(4+); dichloride CAS Name: 2-(4-tert-butyl-1H-inden-1-id-2-yl)-1-methyl-5-propylpyrrole; zirconium(4+); dichloride IUPAC Name: 2-(4-tert-butyl-1H-inden-1-id-2-yl)-1-methyl-5-propylpyrrole; zirconium(4+); dichloride Traditional Name: 2-(4-tert-butyl-1H-inden-1-id-2-yl)-1-methyl-5-propyl-pyrrole; zirconium(4+); dichloride Formula: C42H52Cl2N2Zr MolecularWeight: 747.00568

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C(C)(C)C.CCCC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C(C)(C)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C(C)(C)C.CCCC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C(C)(C)C.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C21H26N.2ClH.Zr/c2*1-6-8-17-11-12-20(22(17)5)16-13-15-9-7-10-19(18(15)14-16)21(2,3)4;;;/h2*7,9-14H,6,8H2,1-5H3;2*1H;/q2*-1;;;+4/p-2