1-methyl-2-phenyl-5-(4-propan-2-yl-1H-inden-1-id-2-yl)pyrrole; zirconium(4+); dichloride

Systemtic Name: 1-methyl-2-phenyl-5-(4-propan-2-yl-1H-inden-1-id-2-yl)pyrrole; zirconium(4+); dichloride Openeye Name: 2-(4-isopropyl-1H-inden-1-id-2-yl)-1-methyl-5-phenyl-pyrrole; zirconium(4+); dichloride CAS Name: 1-methyl-2-phenyl-5-(4-propan-2-yl-1H-inden-1-id-2-yl)pyrrole; zirconium(4+); dichloride IUPAC Name: 1-methyl-2-phenyl-5-(4-propan-2-yl-1H-inden-1-id-2-yl)pyrrole; zirconium(4+); dichloride Traditional Name: 2-(4-isopropyl-1H-inden-1-id-2-yl)-1-methyl-5-phenyl-pyrrole; zirconium(4+); dichloride Formula: C46H44Cl2N2Zr MolecularWeight: 786.98496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC2=C1C=C([CH-]2)C3=CC=C(N3C)C4=CC=CC=C4.CC(C)C1=CC=CC2=C1C=C([CH-]2)C3=CC=C(N3C)C4=CC=CC=C4.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC(C)C1=CC=CC2=C1C=C([CH-]2)C3=CC=C(N3C)C4=CC=CC=C4.CC(C)C1=CC=CC2=C1C=C([CH-]2)C3=CC=C(N3C)C4=CC=CC=C4.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C23H22N.2ClH.Zr/c2*1-16(2)20-11-7-10-18-14-19(15-21(18)20)23-13-12-22(24(23)3)17-8-5-4-6-9-17;;;/h2*4-16H,1-3H3;2*1H;/q2*-1;;;+4/p-2