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

Systemtic Name: 1-(2-phenyl-1H-inden-1-id-4-yl)pyrrole; zirconium(2+); dichloride Openeye Name: 1-(2-phenyl-1H-inden-1-id-4-yl)pyrrole; zirconium(2+); dichloride CAS Name: 1-(2-phenyl-1H-inden-1-id-4-yl)pyrrole; zirconium(2+); dichloride IUPAC Name: 1-(2-phenyl-1H-inden-1-id-4-yl)pyrrole; zirconium(2+); dichloride Traditional Name: 1-(2-phenyl-1H-inden-1-id-4-yl)pyrrole; zirconium(2+); dichloride Formula: C76H56Cl2N4Zr2-2 MolecularWeight: 1278.63864

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C2=C(C=C1C3=CC=CC=C3)C(=CC=C2)N4C=CC=C4.[CH-]1C2=C(C=C1C3=CC=CC=C3)C(=CC=C2)N4C=CC=C4.[CH-]1C2=C(C=C1C3=CC=CC=C3)C(=CC=C2)N4C=CC=C4.[CH-]1C2=C(C=C1C3=CC=CC=C3)C(=CC=C2)N4C=CC=C4.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

[CH-]1C2=C(C=C1C3=CC=CC=C3)C(=CC=C2)N4C=CC=C4.[CH-]1C2=C(C=C1C3=CC=CC=C3)C(=CC=C2)N4C=CC=C4.[CH-]1C2=C(C=C1C3=CC=CC=C3)C(=CC=C2)N4C=CC=C4.[CH-]1C2=C(C=C1C3=CC=CC=C3)C(=CC=C2)N4C=CC=C4.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/4C19H14N.2ClH.2Zr/c4*1-2-7-15(8-3-1)17-13-16-9-6-10-19(18(16)14-17)20-11-4-5-12-20;;;;/h4*1-14H;2*1H;;/q4*-1;;;2*+2/p-2