2-(2,7-dimethyl-1H-inden-1-id-4-yl)pyridine; zirconium(2+); dichloride

Systemtic Name: 2-(2,7-dimethyl-1H-inden-1-id-4-yl)pyridine; zirconium(2+); dichloride Openeye Name: 2-(2,7-dimethyl-1H-inden-1-id-4-yl)pyridine; zirconium(2+); dichloride CAS Name: 2-(2,7-dimethyl-1H-inden-1-id-4-yl)pyridine; zirconium(2+); dichloride IUPAC Name: 2-(2,7-dimethyl-1H-inden-1-id-4-yl)pyridine; zirconium(2+); dichloride Traditional Name: 2-(2,7-dimethyl-1H-inden-1-id-4-yl)pyridine; zirconium(2+); dichloride Formula: C64H56Cl2N4Zr2-2 MolecularWeight: 1134.51024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CC(=C2[CH-]1)C)C3=CC=CC=N3.CC1=CC2=C(C=CC(=C2[CH-]1)C)C3=CC=CC=N3.CC1=CC2=C(C=CC(=C2[CH-]1)C)C3=CC=CC=N3.CC1=CC2=C(C=CC(=C2[CH-]1)C)C3=CC=CC=N3.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CC1=CC2=C(C=CC(=C2[CH-]1)C)C3=CC=CC=N3.CC1=CC2=C(C=CC(=C2[CH-]1)C)C3=CC=CC=N3.CC1=CC2=C(C=CC(=C2[CH-]1)C)C3=CC=CC=N3.CC1=CC2=C(C=CC(=C2[CH-]1)C)C3=CC=CC=N3.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/4C16H14N.2ClH.2Zr/c4*1-11-9-14-12(2)6-7-13(15(14)10-11)16-5-3-4-8-17-16;;;;/h4*3-10H,1-2H3;2*1H;;/q4*-1;;;2*+2/p-2