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

Systemtic Name: 2-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]-1-methyl-5-propyl-pyrrole; zirconium(4+); dichloride Openeye Name: 2-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]-1-methyl-5-propyl-pyrrole; zirconium(4+); dichloride CAS Name: 2-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]-1-methyl-5-propylpyrrole; zirconium(4+); dichloride IUPAC Name: 2-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]-1-methyl-5-propylpyrrole; zirconium(4+); dichloride Traditional Name: 2-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]-1-methyl-5-propyl-pyrrole; zirconium(4+); dichloride Formula: C58H68Cl2N2Zr MolecularWeight: 955.30392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(N4C)CCC.CCCCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(N4C)CCC.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(N4C)CCC.CCCCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(N4C)CCC.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C29H34N.2ClH.Zr/c2*1-4-6-7-8-11-22-14-16-23(17-15-22)27-13-9-12-24-20-25(21-28(24)27)29-19-18-26(10-5-2)30(29)3;;;/h2*9,12-21H,4-8,10-11H2,1-3H3;2*1H;/q2*-1;;;+4/p-2