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

Systemtic Name: 2-(4b,9-dihydrofluoren-9-id-2-yl)-5-ethyl-1-methyl-pyrrole; zirconium(4+); dichloride Openeye Name: 2-(4b,9-dihydrofluoren-9-id-2-yl)-5-ethyl-1-methyl-pyrrole; zirconium(4+); dichloride CAS Name: 2-(4b,9-dihydrofluoren-9-id-2-yl)-5-ethyl-1-methylpyrrole; zirconium(4+); dichloride IUPAC Name: 2-(4b,9-dihydrofluoren-9-id-2-yl)-5-ethyl-1-methylpyrrole; zirconium(4+); dichloride Traditional Name: 2-(4b,9-dihydrofluoren-9-id-2-yl)-5-ethyl-1-methyl-pyrrole; zirconium(4+); dichloride Formula: C40H36Cl2N2Zr MolecularWeight: 706.85724

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(N1C)C2=CC3=C(C=C2)C4C=CC=CC4=[C-]3.CCC1=CC=C(N1C)C2=CC3=C(C=C2)C4C=CC=CC4=[C-]3.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCC1=CC=C(N1C)C2=CC3=C(C=C2)C4C=CC=CC4=[C-]3.CCC1=CC=C(N1C)C2=CC3=C(C=C2)C4C=CC=CC4=[C-]3.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C20H18N.2ClH.Zr/c2*1-3-17-9-11-20(21(17)2)15-8-10-19-16(13-15)12-14-6-4-5-7-18(14)19;;;/h2*4-11,13,18H,3H2,1-2H3;2*1H;/q2*-1;;;+4/p-2