8-(2-ethyl-1H-inden-1-id-4-yl)quinoline; zirconium(2+); dichloride

Systemtic Name: 8-(2-ethyl-1H-inden-1-id-4-yl)quinoline; zirconium(2+); dichloride Openeye Name: 8-(2-ethyl-1H-inden-1-id-4-yl)quinoline; zirconium(2+); dichloride CAS Name: 8-(2-ethyl-1H-inden-1-id-4-yl)quinoline; zirconium(2+); dichloride IUPAC Name: 8-(2-ethyl-1H-inden-1-id-4-yl)quinoline; zirconium(2+); dichloride Traditional Name: 8-(2-ethyl-1H-inden-1-id-4-yl)quinoline; zirconium(2+); dichloride Formula: C40H32Cl2N2Zr2 MolecularWeight: 794.04948

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC4=C3N=CC=C4.CCC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC4=C3N=CC=C4.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CCC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC4=C3N=CC=C4.CCC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC4=C3N=CC=C4.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/2C20H16N.2ClH.2Zr/c2*1-2-14-12-16-7-4-9-17(19(16)13-14)18-10-3-6-15-8-5-11-21-20(15)18;;;;/h2*3-13H,2H2,1H3;2*1H;;/q2*-1;;;2*+2/p-2