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

Systemtic Name: 2-(3H-cyclopenta[a]naphthalen-3-id-1-yl)-5-methyl-thiophene; hafnium(4+); dichloride Openeye Name: 2-(3H-cyclopenta[a]naphthalen-3-id-1-yl)-5-methyl-thiophene; hafnium(4+); dichloride CAS Name: 2-(3H-cyclopenta[a]naphthalen-3-id-1-yl)-5-methylthiophene; hafnium(4+); dichloride IUPAC Name: 2-(3H-cyclopenta[a]naphthalen-3-id-1-yl)-5-methylthiophene; hafnium(4+); dichloride Traditional Name: 2-(3H-benz[e]inden-3-id-1-yl)-5-methyl-thiophene; hafnium(4+); dichloride Formula: C36H26Cl2HfS2 MolecularWeight: 772.11764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=C[CH-]C3=C2C4=CC=CC=C4C=C3.CC1=CC=C(S1)C2=C[CH-]C3=C2C4=CC=CC=C4C=C3.[Cl-].[Cl-].[Hf+4]

Isomeric SMILES

CC1=CC=C(S1)C2=C[CH-]C3=C2C4=CC=CC=C4C=C3.CC1=CC=C(S1)C2=C[CH-]C3=C2C4=CC=CC=C4C=C3.[Cl-].[Cl-].[Hf+4]

InChI

InChI=1S/2C18H13S.2ClH.Hf/c2*1-12-6-11-17(19-12)16-10-9-14-8-7-13-4-2-3-5-15(13)18(14)16;;;/h2*2-11H,1H3;2*1H;/q2*-1;;;+4/p-2