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

Systemtic Name: 1,2-dimethyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-1-id-2-yl]pyrrole; zirconium(4+); dichloride Openeye Name: 2-[4-(4-isopropylphenyl)-1H-inden-1-id-2-yl]-1,5-dimethyl-pyrrole; zirconium(4+); dichloride CAS Name: 1,2-dimethyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-1-id-2-yl]pyrrole; zirconium(4+); dichloride IUPAC Name: 1,2-dimethyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-1-id-2-yl]pyrrole; zirconium(4+); dichloride Traditional Name: 1,2-dimethyl-5-(4-p-cumenyl-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:

CC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C4=CC=C(C=C4)C(C)C.CC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C4=CC=C(C=C4)C(C)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C4=CC=C(C=C4)C(C)C.CC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C4=CC=C(C=C4)C(C)C.[Cl-].[Cl-].[Zr+4]

InChI

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