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

Systemtic Name: 2-[4-(4-tert-butylphenyl)-1H-inden-1-id-2-yl]-1-methyl-5-propyl-pyrrole; zirconium(4+); dichloride Openeye Name: 2-[4-(4-tert-butylphenyl)-1H-inden-1-id-2-yl]-1-methyl-5-propyl-pyrrole; zirconium(4+); dichloride CAS Name: 2-[4-(4-tert-butylphenyl)-1H-inden-1-id-2-yl]-1-methyl-5-propylpyrrole; zirconium(4+); dichloride IUPAC Name: 2-[4-(4-tert-butylphenyl)-1H-inden-1-id-2-yl]-1-methyl-5-propylpyrrole; zirconium(4+); dichloride Traditional Name: 2-[4-(4-tert-butylphenyl)-1H-inden-1-id-2-yl]-1-methyl-5-propyl-pyrrole; zirconium(4+); dichloride Formula: C54H60Cl2N2Zr MolecularWeight: 899.1976

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C4=CC=C(C=C4)C(C)(C)C.CCCC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C4=CC=C(C=C4)C(C)(C)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C4=CC=C(C=C4)C(C)(C)C.CCCC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C4=CC=C(C=C4)C(C)(C)C.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C27H30N.2ClH.Zr/c2*1-6-8-23-15-16-26(28(23)5)21-17-20-9-7-10-24(25(20)18-21)19-11-13-22(14-12-19)27(2,3)4;;;/h2*7,9-18H,6,8H2,1-5H3;2*1H;/q2*-1;;;+4/p-2