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

Systemtic Name: 1-methyl-2-(4-propan-2-yl-1H-inden-1-id-2-yl)-5-propyl-pyrrole; zirconium(4+); dichloride Openeye Name: 2-(4-isopropyl-1H-inden-1-id-2-yl)-1-methyl-5-propyl-pyrrole; zirconium(4+); dichloride CAS Name: 1-methyl-2-(4-propan-2-yl-1H-inden-1-id-2-yl)-5-propylpyrrole; zirconium(4+); dichloride IUPAC Name: 1-methyl-2-(4-propan-2-yl-1H-inden-1-id-2-yl)-5-propylpyrrole; zirconium(4+); dichloride Traditional Name: 2-(4-isopropyl-1H-inden-1-id-2-yl)-1-methyl-5-propyl-pyrrole; zirconium(4+); dichloride Formula: C40H48Cl2N2Zr MolecularWeight: 718.95252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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