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

Systemtic Name: 2-(4-ethyl-1H-inden-1-id-2-yl)-1-methyl-5-phenyl-pyrrole; zirconium(4+); dichloride Openeye Name: 2-(4-ethyl-1H-inden-1-id-2-yl)-1-methyl-5-phenyl-pyrrole; zirconium(4+); dichloride CAS Name: 2-(4-ethyl-1H-inden-1-id-2-yl)-1-methyl-5-phenylpyrrole; zirconium(4+); dichloride IUPAC Name: 2-(4-ethyl-1H-inden-1-id-2-yl)-1-methyl-5-phenylpyrrole; zirconium(4+); dichloride Traditional Name: 2-(4-ethyl-1H-inden-1-id-2-yl)-1-methyl-5-phenyl-pyrrole; zirconium(4+); dichloride Formula: C44H40Cl2N2Zr MolecularWeight: 758.9318

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1C=C([CH-]2)C3=CC=C(N3C)C4=CC=CC=C4.CCC1=CC=CC2=C1C=C([CH-]2)C3=CC=C(N3C)C4=CC=CC=C4.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCC1=CC=CC2=C1C=C([CH-]2)C3=CC=C(N3C)C4=CC=CC=C4.CCC1=CC=CC2=C1C=C([CH-]2)C3=CC=C(N3C)C4=CC=CC=C4.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C22H20N.2ClH.Zr/c2*1-3-16-10-7-11-18-14-19(15-20(16)18)22-13-12-21(23(22)2)17-8-5-4-6-9-17;;;/h2*4-15H,3H2,1-2H3;2*1H;/q2*-1;;;+4/p-2