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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C23H22N.2ClH.Zr/c2*1-3-8-20-13-14-23(24(20)2)19-15-18-11-7-12-21(22(18)16-19)17-9-5-4-6-10-17;;;/h2*4-7,9-16H,3,8H2,1-2H3;2*1H;/q2*-1;;;+4/p-2