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

Systemtic Name: 2-(4b,9-dihydrofluoren-9-id-2-yl)-1-methyl-5-propyl-pyrrole; zirconium(4+); dichloride Openeye Name: 2-(4b,9-dihydrofluoren-9-id-2-yl)-1-methyl-5-propyl-pyrrole; zirconium(4+); dichloride CAS Name: 2-(4b,9-dihydrofluoren-9-id-2-yl)-1-methyl-5-propylpyrrole; zirconium(4+); dichloride IUPAC Name: 2-(4b,9-dihydrofluoren-9-id-2-yl)-1-methyl-5-propylpyrrole; zirconium(4+); dichloride Traditional Name: 2-(4b,9-dihydrofluoren-9-id-2-yl)-1-methyl-5-propyl-pyrrole; zirconium(4+); dichloride Formula: C42H40Cl2N2Zr MolecularWeight: 734.9104

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(N1C)C2=CC3=C(C=C2)C4C=CC=CC4=[C-]3.CCCC1=CC=C(N1C)C2=CC3=C(C=C2)C4C=CC=CC4=[C-]3.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCC1=CC=C(N1C)C2=CC3=C(C=C2)C4C=CC=CC4=[C-]3.CCCC1=CC=C(N1C)C2=CC3=C(C=C2)C4C=CC=CC4=[C-]3.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C21H20N.2ClH.Zr/c2*1-3-6-18-10-12-21(22(18)2)16-9-11-20-17(14-16)13-15-7-4-5-8-19(15)20;;;/h2*4-5,7-12,14,19H,3,6H2,1-2H3;2*1H;/q2*-1;;;+4/p-2