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

Systemtic Name: 2-(3H-cyclopenta[a]naphthalen-3-id-2-yl)-5-ethyl-1-methyl-pyrrole; hafnium(4+); dichloride Openeye Name: 2-(3H-cyclopenta[a]naphthalen-3-id-2-yl)-5-ethyl-1-methyl-pyrrole; hafnium(4+); dichloride CAS Name: 2-(3H-cyclopenta[a]naphthalen-3-id-2-yl)-5-ethyl-1-methylpyrrole; hafnium(4+); dichloride IUPAC Name: 2-(3H-cyclopenta[a]naphthalen-3-id-2-yl)-5-ethyl-1-methylpyrrole; hafnium(4+); dichloride Traditional Name: 2-(3H-benz[e]inden-3-id-2-yl)-5-ethyl-1-methyl-pyrrole; hafnium(4+); dichloride Formula: C40H36Cl2HfN2 MolecularWeight: 794.12324

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC4=CC=CC=C43.CCC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC4=CC=CC=C43.[Cl-].[Cl-].[Hf+4]

Isomeric SMILES

CCC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC4=CC=CC=C43.CCC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC4=CC=CC=C43.[Cl-].[Cl-].[Hf+4]

InChI

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