2-(4b,9-dihydrofluoren-9-id-1-yl)-1,5-dimethyl-pyrrole; zirconium(4+); dichloride

Systemtic Name: 2-(4b,9-dihydrofluoren-9-id-1-yl)-1,5-dimethyl-pyrrole; zirconium(4+); dichloride Openeye Name: 2-(4b,9-dihydrofluoren-9-id-1-yl)-1,5-dimethyl-pyrrole; zirconium(4+); dichloride CAS Name: 2-(4b,9-dihydrofluoren-9-id-1-yl)-1,5-dimethylpyrrole; zirconium(4+); dichloride IUPAC Name: 2-(4b,9-dihydrofluoren-9-id-1-yl)-1,5-dimethylpyrrole; zirconium(4+); dichloride Traditional Name: 2-(4b,9-dihydrofluoren-9-id-1-yl)-1,5-dimethyl-pyrrole; zirconium(4+); dichloride Formula: C38H32Cl2N2Zr MolecularWeight: 678.80408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C)C2=C3[C-]=C4C=CC=CC4C3=CC=C2.CC1=CC=C(N1C)C2=C3[C-]=C4C=CC=CC4C3=CC=C2.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC1=CC=C(N1C)C2=C3[C-]=C4C=CC=CC4C3=CC=C2.CC1=CC=C(N1C)C2=C3[C-]=C4C=CC=CC4C3=CC=C2.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C19H16N.2ClH.Zr/c2*1-13-10-11-19(20(13)2)17-9-5-8-16-15-7-4-3-6-14(15)12-18(16)17;;;/h2*3-11,15H,1-2H3;2*1H;/q2*-1;;;+4/p-2