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

Systemtic Name: 2-(1H-inden-1-id-2-yl)quinoline; zirconium(2+); dichloride Openeye Name: 2-(1H-inden-1-id-2-yl)quinoline; zirconium(2+); dichloride CAS Name: 2-(1H-inden-1-id-2-yl)quinoline; zirconium(2+); dichloride IUPAC Name: 2-(1H-inden-1-id-2-yl)quinoline; zirconium(2+); dichloride Traditional Name: 2-(1H-inden-1-id-2-yl)quinoline; zirconium(2+); dichloride Formula: C72H48Cl2N4Zr2-2 MolecularWeight: 1222.53232

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C2=CC=CC=C2C=C1C3=NC4=CC=CC=C4C=C3.[CH-]1C2=CC=CC=C2C=C1C3=NC4=CC=CC=C4C=C3.[CH-]1C2=CC=CC=C2C=C1C3=NC4=CC=CC=C4C=C3.[CH-]1C2=CC=CC=C2C=C1C3=NC4=CC=CC=C4C=C3.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

[CH-]1C2=CC=CC=C2C=C1C3=NC4=CC=CC=C4C=C3.[CH-]1C2=CC=CC=C2C=C1C3=NC4=CC=CC=C4C=C3.[CH-]1C2=CC=CC=C2C=C1C3=NC4=CC=CC=C4C=C3.[CH-]1C2=CC=CC=C2C=C1C3=NC4=CC=CC=C4C=C3.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/4C18H12N.2ClH.2Zr/c4*1-2-7-15-12-16(11-14(15)6-1)18-10-9-13-5-3-4-8-17(13)19-18;;;;/h4*1-12H;2*1H;;/q4*-1;;;2*+2/p-2