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

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

CCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(N4C)CCC.CCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(N4C)CCC.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(N4C)CCC.CCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(N4C)CCC.[Cl-].[Cl-].[Zr+4]

InChI

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