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

Systemtic Name: 1-methyl-2-[4-(4-methylphenyl)-1H-inden-1-id-2-yl]-5-propyl-pyrrole; zirconium(4+); dichloride Openeye Name: 1-methyl-2-propyl-5-[4-(p-tolyl)-1H-inden-1-id-2-yl]pyrrole; zirconium(4+); dichloride CAS Name: 1-methyl-2-[4-(4-methylphenyl)-1H-inden-1-id-2-yl]-5-propylpyrrole; zirconium(4+); dichloride IUPAC Name: 1-methyl-2-[4-(4-methylphenyl)-1H-inden-1-id-2-yl]-5-propylpyrrole; zirconium(4+); dichloride Traditional Name: 1-methyl-2-propyl-5-[4-(p-tolyl)-1H-inden-1-id-2-yl]pyrrole; zirconium(4+); dichloride Formula: C48H48Cl2N2Zr MolecularWeight: 815.03812

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

Isomeric SMILES

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

InChI

InChI=1S/2C24H24N.2ClH.Zr/c2*1-4-6-21-13-14-24(25(21)3)20-15-19-7-5-8-22(23(19)16-20)18-11-9-17(2)10-12-18;;;/h2*5,7-16H,4,6H2,1-3H3;2*1H;/q2*-1;;;+4/p-2