2-(3H-cyclopenta[a]naphthalen-3-id-2-yl)-1-methyl-5-propyl-pyrrole; hafnium(4+); dichloride

Systemtic Name: 2-(3H-cyclopenta[a]naphthalen-3-id-2-yl)-1-methyl-5-propyl-pyrrole; hafnium(4+); dichloride Openeye Name: 2-(3H-cyclopenta[a]naphthalen-3-id-2-yl)-1-methyl-5-propyl-pyrrole; hafnium(4+); dichloride CAS Name: 2-(3H-cyclopenta[a]naphthalen-3-id-2-yl)-1-methyl-5-propylpyrrole; hafnium(4+); dichloride IUPAC Name: 2-(3H-cyclopenta[a]naphthalen-3-id-2-yl)-1-methyl-5-propylpyrrole; hafnium(4+); dichloride Traditional Name: 2-(3H-benz[e]inden-3-id-2-yl)-1-methyl-5-propyl-pyrrole; hafnium(4+); dichloride Formula: C42H40Cl2HfN2 MolecularWeight: 822.1764

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC4=CC=CC=C43.CCCC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC4=CC=CC=C43.[Cl-].[Cl-].[Hf+4]

Isomeric SMILES

CCCC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC4=CC=CC=C43.CCCC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC4=CC=CC=C43.[Cl-].[Cl-].[Hf+4]

InChI

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