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

Systemtic Name: 8-(2-propan-2-yl-1H-inden-1-id-4-yl)quinoline; zirconium(2+); dichloride Openeye Name: 8-(2-isopropyl-1H-inden-1-id-4-yl)quinoline; zirconium(2+); dichloride CAS Name: 8-(2-propan-2-yl-1H-inden-1-id-4-yl)quinoline; zirconium(2+); dichloride IUPAC Name: 8-(2-propan-2-yl-1H-inden-1-id-4-yl)quinoline; zirconium(2+); dichloride Traditional Name: 8-(2-isopropyl-1H-inden-1-id-4-yl)quinoline; zirconium(2+); dichloride Formula: C42H36Cl2N2Zr2 MolecularWeight: 822.10264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C([CH-]1)C=CC=C2C3=CC=CC4=C3N=CC=C4.CC(C)C1=CC2=C([CH-]1)C=CC=C2C3=CC=CC4=C3N=CC=C4.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CC(C)C1=CC2=C([CH-]1)C=CC=C2C3=CC=CC4=C3N=CC=C4.CC(C)C1=CC2=C([CH-]1)C=CC=C2C3=CC=CC4=C3N=CC=C4.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/2C21H18N.2ClH.2Zr/c2*1-14(2)17-12-16-7-4-9-18(20(16)13-17)19-10-3-6-15-8-5-11-22-21(15)19;;;;/h2*3-14H,1-2H3;2*1H;;/q2*-1;;;2*+2/p-2