2-(1H-inden-1-id-2-yl)-1H-indole; zirconium(2+); dichloride

Systemtic Name: 2-(1H-inden-1-id-2-yl)-1H-indole; zirconium(2+); dichloride Openeye Name: 2-(1H-inden-1-id-2-yl)-1H-indole; zirconium(2+); dichloride CAS Name: 2-(1H-inden-1-id-2-yl)-1H-indole; zirconium(2+); dichloride IUPAC Name: 2-(1H-inden-1-id-2-yl)-1H-indole; zirconium(2+); dichloride Traditional Name: 2-(1H-inden-1-id-2-yl)-1H-indole; zirconium(2+); dichloride Formula: C68H48Cl2N4Zr2-2 MolecularWeight: 1174.48952

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C2=CC=CC=C2C=C1C3=CC4=CC=CC=C4N3.[CH-]1C2=CC=CC=C2C=C1C3=CC4=CC=CC=C4N3.[CH-]1C2=CC=CC=C2C=C1C3=CC4=CC=CC=C4N3.[CH-]1C2=CC=CC=C2C=C1C3=CC4=CC=CC=C4N3.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

[CH-]1C2=CC=CC=C2C=C1C3=CC4=CC=CC=C4N3.[CH-]1C2=CC=CC=C2C=C1C3=CC4=CC=CC=C4N3.[CH-]1C2=CC=CC=C2C=C1C3=CC4=CC=CC=C4N3.[CH-]1C2=CC=CC=C2C=C1C3=CC4=CC=CC=C4N3.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/4C17H12N.2ClH.2Zr/c4*1-2-6-13-10-15(9-12(13)5-1)17-11-14-7-3-4-8-16(14)18-17;;;;/h4*1-11,18H;2*1H;;/q4*-1;;;2*+2/p-2