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

Systemtic Name: 2-(3H-cyclopenta[a]naphthalen-3-id-2-yl)-5-methyl-thiophene; hafnium(4+); dichloride Openeye Name: 2-(3H-cyclopenta[a]naphthalen-3-id-2-yl)-5-methyl-thiophene; hafnium(4+); dichloride CAS Name: 2-(3H-cyclopenta[a]naphthalen-3-id-2-yl)-5-methylthiophene; hafnium(4+); dichloride IUPAC Name: 2-(3H-cyclopenta[a]naphthalen-3-id-2-yl)-5-methylthiophene; hafnium(4+); dichloride Traditional Name: 2-(3H-benz[e]inden-3-id-2-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=CC3=C([CH-]2)C=CC4=CC=CC=C43.CC1=CC=C(S1)C2=CC3=C([CH-]2)C=CC4=CC=CC=C43.[Cl-].[Cl-].[Hf+4]

Isomeric SMILES

CC1=CC=C(S1)C2=CC3=C([CH-]2)C=CC4=CC=CC=C43.CC1=CC=C(S1)C2=CC3=C([CH-]2)C=CC4=CC=CC=C43.[Cl-].[Cl-].[Hf+4]

InChI

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