2-(3H-cyclopenta[a]naphthalen-3-id-2-yl)-5-phenyl-thiophene; hafnium(4+); dichloride

Systemtic Name: 2-(3H-cyclopenta[a]naphthalen-3-id-2-yl)-5-phenyl-thiophene; hafnium(4+); dichloride Openeye Name: 2-(3H-cyclopenta[a]naphthalen-3-id-2-yl)-5-phenyl-thiophene; hafnium(4+); dichloride CAS Name: 2-(3H-cyclopenta[a]naphthalen-3-id-2-yl)-5-phenylthiophene; hafnium(4+); dichloride IUPAC Name: 2-(3H-cyclopenta[a]naphthalen-3-id-2-yl)-5-phenylthiophene; hafnium(4+); dichloride Traditional Name: 2-(3H-benz[e]inden-3-id-2-yl)-5-phenyl-thiophene; hafnium(4+); dichloride Formula: C46H30Cl2HfS2 MolecularWeight: 896.2564

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C2=C(C=C1C3=CC=C(S3)C4=CC=CC=C4)C5=CC=CC=C5C=C2.[CH-]1C2=C(C=C1C3=CC=C(S3)C4=CC=CC=C4)C5=CC=CC=C5C=C2.[Cl-].[Cl-].[Hf+4]

Isomeric SMILES

[CH-]1C2=C(C=C1C3=CC=C(S3)C4=CC=CC=C4)C5=CC=CC=C5C=C2.[CH-]1C2=C(C=C1C3=CC=C(S3)C4=CC=CC=C4)C5=CC=CC=C5C=C2.[Cl-].[Cl-].[Hf+4]

InChI

InChI=1S/2C23H15S.2ClH.Hf/c2*1-2-7-17(8-3-1)22-12-13-23(24-22)19-14-18-11-10-16-6-4-5-9-20(16)21(18)15-19;;;/h2*1-15H;2*1H;/q2*-1;;;+4/p-2