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

Systemtic Name: 2-(4-tert-butyl-1H-inden-1-id-2-yl)-5-ethyl-1-methyl-pyrrole; zirconium(4+); dichloride Openeye Name: 2-(4-tert-butyl-1H-inden-1-id-2-yl)-5-ethyl-1-methyl-pyrrole; zirconium(4+); dichloride CAS Name: 2-(4-tert-butyl-1H-inden-1-id-2-yl)-5-ethyl-1-methylpyrrole; zirconium(4+); dichloride IUPAC Name: 2-(4-tert-butyl-1H-inden-1-id-2-yl)-5-ethyl-1-methylpyrrole; zirconium(4+); dichloride Traditional Name: 2-(4-tert-butyl-1H-inden-1-id-2-yl)-5-ethyl-1-methyl-pyrrole; zirconium(4+); dichloride Formula: C40H48Cl2N2Zr MolecularWeight: 718.95252

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C(C)(C)C.CCC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C(C)(C)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C(C)(C)C.CCC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C(C)(C)C.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C20H24N.2ClH.Zr/c2*1-6-16-10-11-19(21(16)5)15-12-14-8-7-9-18(17(14)13-15)20(2,3)4;;;/h2*7-13H,6H2,1-5H3;2*1H;/q2*-1;;;+4/p-2