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

Systemtic Name: 8-(2-butyl-1H-inden-1-id-4-yl)quinoline; zirconium(2+); dichloride Openeye Name: 8-(2-butyl-1H-inden-1-id-4-yl)quinoline; zirconium(2+); dichloride CAS Name: 8-(2-butyl-1H-inden-1-id-4-yl)quinoline; zirconium(2+); dichloride IUPAC Name: 8-(2-butyl-1H-inden-1-id-4-yl)quinoline; zirconium(2+); dichloride Traditional Name: 8-(2-butyl-1H-inden-1-id-4-yl)quinoline; zirconium(2+); dichloride Formula: C44H40Cl2N2Zr2 MolecularWeight: 850.1558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC4=C3N=CC=C4.CCCCC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC4=C3N=CC=C4.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CCCCC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC4=C3N=CC=C4.CCCCC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC4=C3N=CC=C4.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/2C22H20N.2ClH.2Zr/c2*1-2-3-7-16-14-18-9-5-11-19(21(18)15-16)20-12-4-8-17-10-6-13-23-22(17)20;;;;/h2*4-6,8-15H,2-3,7H2,1H3;2*1H;;/q2*-1;;;2*+2/p-2