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

Systemtic Name: 1,2-dimethyl-5-[4-(4-methylphenyl)-1H-inden-1-id-2-yl]pyrrole; zirconium(4+); dichloride Openeye Name: 1,2-dimethyl-5-[4-(p-tolyl)-1H-inden-1-id-2-yl]pyrrole; zirconium(4+); dichloride CAS Name: 1,2-dimethyl-5-[4-(4-methylphenyl)-1H-inden-1-id-2-yl]pyrrole; zirconium(4+); dichloride IUPAC Name: 1,2-dimethyl-5-[4-(4-methylphenyl)-1H-inden-1-id-2-yl]pyrrole; zirconium(4+); dichloride Traditional Name: 1,2-dimethyl-5-[4-(p-tolyl)-1H-inden-1-id-2-yl]pyrrole; zirconium(4+); dichloride Formula: C44H40Cl2N2Zr MolecularWeight: 758.9318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(N4C)C.CC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(N4C)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(N4C)C.CC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(N4C)C.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C22H20N.2ClH.Zr/c2*1-15-7-10-17(11-8-15)20-6-4-5-18-13-19(14-21(18)20)22-12-9-16(2)23(22)3;;;/h2*4-14H,1-3H3;2*1H;/q2*-1;;;+4/p-2