2,6-dimethyl-3-naphthalen-1-yl-cyclopenta[b]pyrrole; zirconium(2+); dichloride

Systemtic Name: 2,6-dimethyl-3-naphthalen-1-yl-cyclopenta[b]pyrrole; zirconium(2+); dichloride Openeye Name: 2,6-dimethyl-3-(1-naphthyl)cyclopenta[b]pyrrole; zirconium(2+); dichloride CAS Name: 2,6-dimethyl-3-(1-naphthalenyl)cyclopenta[b]pyrrole; zirconium(2+); dichloride IUPAC Name: 2,6-dimethyl-3-naphthalen-1-ylcyclopenta[b]pyrrole; zirconium(2+); dichloride Traditional Name: 2,6-dimethyl-3-(1-naphthyl)cyclopenta[b]pyrrole; zirconium(2+); dichloride Formula: C38H30Cl2N2Zr MolecularWeight: 676.7882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C2C1=NC(=C2C3=CC=CC4=CC=CC=C43)C.CC1=CC=C2C1=NC(=C2C3=CC=CC4=CC=CC=C43)C.[Cl-].[Cl-].[Zr+2]

Isomeric SMILES

CC1=CC=C2C1=NC(=C2C3=CC=CC4=CC=CC=C43)C.CC1=CC=C2C1=NC(=C2C3=CC=CC4=CC=CC=C43)C.[Cl-].[Cl-].[Zr+2]

InChI

InChI=1S/2C19H15N.2ClH.Zr/c2*1-12-10-11-17-18(13(2)20-19(12)17)16-9-5-7-14-6-3-4-8-15(14)16;;;/h2*3-11H,1-2H3;2*1H;/q;;;;+2/p-2