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

Systemtic Name: 2-(1H-inden-1-id-2-yl)-1-methyl-5-phenyl-pyrrole; zirconium(4+); dichloride Openeye Name: 2-(1H-inden-1-id-2-yl)-1-methyl-5-phenyl-pyrrole; zirconium(4+); dichloride CAS Name: 2-(1H-inden-1-id-2-yl)-1-methyl-5-phenylpyrrole; zirconium(4+); dichloride IUPAC Name: 2-(1H-inden-1-id-2-yl)-1-methyl-5-phenylpyrrole; zirconium(4+); dichloride Traditional Name: 2-(1H-inden-1-id-2-yl)-1-methyl-5-phenyl-pyrrole; zirconium(4+); dichloride Formula: C40H32Cl2N2Zr MolecularWeight: 702.82548

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1C2=CC=CC=C2)C3=CC4=CC=CC=C4[CH-]3.CN1C(=CC=C1C2=CC=CC=C2)C3=CC4=CC=CC=C4[CH-]3.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CN1C(=CC=C1C2=CC=CC=C2)C3=CC4=CC=CC=C4[CH-]3.CN1C(=CC=C1C2=CC=CC=C2)C3=CC4=CC=CC=C4[CH-]3.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C20H16N.2ClH.Zr/c2*1-21-19(15-7-3-2-4-8-15)11-12-20(21)18-13-16-9-5-6-10-17(16)14-18;;;/h2*2-14H,1H3;2*1H;/q2*-1;;;+4/p-2