2,6-dibutyl-4-phenyl-cyclopenta[b]pyrrole; zirconium(2+); dichloride

Systemtic Name: 2,6-dibutyl-4-phenyl-cyclopenta[b]pyrrole; zirconium(2+); dichloride Openeye Name: 2,6-dibutyl-4-phenyl-cyclopenta[b]pyrrole; zirconium(2+); dichloride CAS Name: 2,6-dibutyl-4-phenylcyclopenta[b]pyrrole; zirconium(2+); dichloride IUPAC Name: 2,6-dibutyl-4-phenylcyclopenta[b]pyrrole; zirconium(2+); dichloride Traditional Name: 2,6-dibutyl-4-phenyl-cyclopenta[b]pyrrole; zirconium(2+); dichloride Formula: C42H50Cl2N2Zr MolecularWeight: 744.9898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C2C1=NC(=C2)CCCC)C3=CC=CC=C3.CCCCC1=CC(=C2C1=NC(=C2)CCCC)C3=CC=CC=C3.[Cl-].[Cl-].[Zr+2]

Isomeric SMILES

CCCCC1=CC(=C2C1=NC(=C2)CCCC)C3=CC=CC=C3.CCCCC1=CC(=C2C1=NC(=C2)CCCC)C3=CC=CC=C3.[Cl-].[Cl-].[Zr+2]

InChI

InChI=1S/2C21H25N.2ClH.Zr/c2*1-3-5-10-17-14-19(16-11-8-7-9-12-16)20-15-18(13-6-4-2)22-21(17)20;;;/h2*7-9,11-12,14-15H,3-6,10,13H2,1-2H3;2*1H;/q;;;;+2/p-2