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

Systemtic Name: 2-[4-(4-ethylphenyl)-1H-inden-1-id-2-yl]-1-methyl-5-propyl-pyrrole; zirconium(4+); dichloride Openeye Name: 2-[4-(4-ethylphenyl)-1H-inden-1-id-2-yl]-1-methyl-5-propyl-pyrrole; zirconium(4+); dichloride CAS Name: 2-[4-(4-ethylphenyl)-1H-inden-1-id-2-yl]-1-methyl-5-propylpyrrole; zirconium(4+); dichloride IUPAC Name: 2-[4-(4-ethylphenyl)-1H-inden-1-id-2-yl]-1-methyl-5-propylpyrrole; zirconium(4+); dichloride Traditional Name: 2-[4-(4-ethylphenyl)-1H-inden-1-id-2-yl]-1-methyl-5-propyl-pyrrole; zirconium(4+); dichloride Formula: C50H52Cl2N2Zr MolecularWeight: 843.09128

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

Isomeric SMILES

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

InChI

InChI=1S/2C25H26N.2ClH.Zr/c2*1-4-7-22-14-15-25(26(22)3)21-16-20-8-6-9-23(24(20)17-21)19-12-10-18(5-2)11-13-19;;;/h2*6,8-17H,4-5,7H2,1-3H3;2*1H;/q2*-1;;;+4/p-2