2-(2-butyl-1H-inden-1-id-4-yl)pyridine; cyclopenta-1,3-diene; zirconium(2+); dichloride

Systemtic Name: 2-(2-butyl-1H-inden-1-id-4-yl)pyridine; cyclopenta-1,3-diene; zirconium(2+); dichloride Openeye Name: 2-(2-butyl-1H-inden-1-id-4-yl)pyridine; cyclopenta-1,3-diene; zirconium(2+); dichloride CAS Name: 2-(2-butyl-1H-inden-1-id-4-yl)pyridine; cyclopenta-1,3-diene; zirconium(2+); dichloride IUPAC Name: 2-(2-butyl-1H-inden-1-id-4-yl)pyridine; cyclopenta-1,3-diene; zirconium(2+); dichloride Traditional Name: 2-(2-butyl-1H-inden-1-id-4-yl)pyridine; cyclopenta-1,3-diene; zirconium(2+); dichloride Formula: C46H46Cl2N2Zr2-2 MolecularWeight: 880.22484

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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.C1C=CC=[C-]1.C1C=CC=[C-]1.[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.C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/2C18H18N.2C5H5.2ClH.2Zr/c2*1-2-3-7-14-12-15-8-6-9-16(17(15)13-14)18-10-4-5-11-19-18;2*1-2-4-5-3-1;;;;/h2*4-6,8-13H,2-3,7H2,1H3;2*1-3H,4H2;2*1H;;/q4*-1;;;2*+2/p-2