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

Systemtic Name: 2-(3H-cyclopenta[a]naphthalen-3-id-1-yl)-1,5-dimethyl-pyrrole; hafnium(4+); dichloride Openeye Name: 2-(3H-cyclopenta[a]naphthalen-3-id-1-yl)-1,5-dimethyl-pyrrole; hafnium(4+); dichloride CAS Name: 2-(3H-cyclopenta[a]naphthalen-3-id-1-yl)-1,5-dimethylpyrrole; hafnium(4+); dichloride IUPAC Name: 2-(3H-cyclopenta[a]naphthalen-3-id-1-yl)-1,5-dimethylpyrrole; hafnium(4+); dichloride Traditional Name: 2-(3H-benz[e]inden-3-id-1-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=C[CH-]C3=C2C4=CC=CC=C4C=C3.CC1=CC=C(N1C)C2=C[CH-]C3=C2C4=CC=CC=C4C=C3.[Cl-].[Cl-].[Hf+4]

Isomeric SMILES

CC1=CC=C(N1C)C2=C[CH-]C3=C2C4=CC=CC=C4C=C3.CC1=CC=C(N1C)C2=C[CH-]C3=C2C4=CC=CC=C4C=C3.[Cl-].[Cl-].[Hf+4]

InChI

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