2-(2-butyl-1H-inden-1-id-2-yl)pyridine; propan-2-ylidenezirconium(2+); dichloride

Systemtic Name: 2-(2-butyl-1H-inden-1-id-2-yl)pyridine; propan-2-ylidenezirconium(2+); dichloride Openeye Name: 2-(2-butyl-1H-inden-1-id-2-yl)pyridine; isopropylidenezirconium(2+); dichloride CAS Name: 2-(2-butyl-1H-inden-1-id-2-yl)pyridine; propan-2-ylidenezirconium(2+); dichloride IUPAC Name: 2-(2-butyl-1H-inden-1-id-2-yl)pyridine; propan-2-ylidenezirconium(2+); dichloride Traditional Name: 2-(2-butyl-1H-inden-1-id-2-yl)pyridine; isopropylidenezirconium(2+); dichloride Formula: C39H42Cl2N2Zr-2 MolecularWeight: 700.89418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C=C2C=CC=CC2=[C-]1)C3=CC=CC=N3.CCCCC1(C=C2C=CC=CC2=[C-]1)C3=CC=CC=N3.CC(=[Zr+2])C.[Cl-].[Cl-]

Isomeric SMILES

CCCCC1(C=C2C=CC=CC2=[C-]1)C3=CC=CC=N3.CCCCC1(C=C2C=CC=CC2=[C-]1)C3=CC=CC=N3.CC(=[Zr+2])C.[Cl-].[Cl-]

InChI

InChI=1S/2C18H18N.C3H6.2ClH.Zr/c2*1-2-3-11-18(17-10-6-7-12-19-17)13-15-8-4-5-9-16(15)14-18;1-3-2;;;/h2*4-10,12-13H,2-3,11H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2