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

Systemtic Name: 2-(4-tert-butyl-1H-inden-1-id-2-yl)-1,5-dimethyl-pyrrole; zirconium(4+); dichloride Openeye Name: 2-(4-tert-butyl-1H-inden-1-id-2-yl)-1,5-dimethyl-pyrrole; zirconium(4+); dichloride CAS Name: 2-(4-tert-butyl-1H-inden-1-id-2-yl)-1,5-dimethylpyrrole; zirconium(4+); dichloride IUPAC Name: 2-(4-tert-butyl-1H-inden-1-id-2-yl)-1,5-dimethylpyrrole; zirconium(4+); dichloride Traditional Name: 2-(4-tert-butyl-1H-inden-1-id-2-yl)-1,5-dimethyl-pyrrole; zirconium(4+); dichloride Formula: C38H44Cl2N2Zr MolecularWeight: 690.89936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C(C)(C)C.CC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C(C)(C)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C(C)(C)C.CC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C(C)(C)C.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C19H22N.2ClH.Zr/c2*1-13-9-10-18(20(13)5)15-11-14-7-6-8-17(16(14)12-15)19(2,3)4;;;/h2*6-12H,1-5H3;2*1H;/q2*-1;;;+4/p-2