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

Systemtic Name: 2-(3H-cyclopenta[a]naphthalen-3-id-2-yl)-1,5-dimethyl-pyrrole; hafnium(4+); dichloride Openeye Name: 2-(3H-cyclopenta[a]naphthalen-3-id-2-yl)-1,5-dimethyl-pyrrole; hafnium(4+); dichloride CAS Name: 2-(3H-cyclopenta[a]naphthalen-3-id-2-yl)-1,5-dimethylpyrrole; hafnium(4+); dichloride IUPAC Name: 2-(3H-cyclopenta[a]naphthalen-3-id-2-yl)-1,5-dimethylpyrrole; hafnium(4+); dichloride Traditional Name: 2-(3H-benz[e]inden-3-id-2-yl)-1,5-dimethyl-pyrrole; hafnium(4+); dichloride Formula: C38H32Cl2HfN2 MolecularWeight: 766.07008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC4=CC=CC=C43.CC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC4=CC=CC=C43.[Cl-].[Cl-].[Hf+4]

Isomeric SMILES

CC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC4=CC=CC=C43.CC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC4=CC=CC=C43.[Cl-].[Cl-].[Hf+4]

InChI

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