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

Systemtic Name: 1-methyl-2-[4-(4-propan-2-ylphenyl)-1H-inden-1-id-2-yl]-5-propyl-pyrrole; zirconium(4+); dichloride Openeye Name: 2-[4-(4-isopropylphenyl)-1H-inden-1-id-2-yl]-1-methyl-5-propyl-pyrrole; zirconium(4+); dichloride CAS Name: 1-methyl-2-[4-(4-propan-2-ylphenyl)-1H-inden-1-id-2-yl]-5-propylpyrrole; zirconium(4+); dichloride IUPAC Name: 1-methyl-2-[4-(4-propan-2-ylphenyl)-1H-inden-1-id-2-yl]-5-propylpyrrole; zirconium(4+); dichloride Traditional Name: 1-methyl-2-(4-p-cumenyl-1H-inden-1-id-2-yl)-5-propyl-pyrrole; zirconium(4+); dichloride Formula: C52H56Cl2N2Zr MolecularWeight: 871.14444

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

Isomeric SMILES

CCCC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C4=CC=C(C=C4)C(C)C.CCCC1=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/2C26H28N.2ClH.Zr/c2*1-5-7-23-14-15-26(27(23)4)22-16-21-8-6-9-24(25(21)17-22)20-12-10-19(11-13-20)18(2)3;;;/h2*6,8-18H,5,7H2,1-4H3;2*1H;/q2*-1;;;+4/p-2