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

Systemtic Name: 2-(2-butyl-1H-inden-1-id-4-yl)pyridine; zirconium(2+); dichloride Openeye Name: 2-(2-butyl-1H-inden-1-id-4-yl)pyridine; zirconium(2+); dichloride CAS Name: 2-(2-butyl-1H-inden-1-id-4-yl)pyridine; zirconium(2+); dichloride IUPAC Name: 2-(2-butyl-1H-inden-1-id-4-yl)pyridine; zirconium(2+); dichloride Traditional Name: 2-(2-butyl-1H-inden-1-id-4-yl)pyridine; zirconium(2+); dichloride Formula: C72H72Cl2N4Zr2-2 MolecularWeight: 1246.72288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=N3.CCCCC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=N3.CCCCC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=N3.CCCCC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=N3.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CCCCC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=N3.CCCCC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=N3.CCCCC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=N3.CCCCC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=N3.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/4C18H18N.2ClH.2Zr/c4*1-2-3-7-14-12-15-8-6-9-16(17(15)13-14)18-10-4-5-11-19-18;;;;/h4*4-6,8-13H,2-3,7H2,1H3;2*1H;;/q4*-1;;;2*+2/p-2