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

Systemtic Name: 2-(3H-cyclopenta[a]naphthalen-3-id-2-yl)-5-ethyl-thiophene; hafnium(4+); dichloride Openeye Name: 2-(3H-cyclopenta[a]naphthalen-3-id-2-yl)-5-ethyl-thiophene; hafnium(4+); dichloride CAS Name: 2-(3H-cyclopenta[a]naphthalen-3-id-2-yl)-5-ethylthiophene; hafnium(4+); dichloride IUPAC Name: 2-(3H-cyclopenta[a]naphthalen-3-id-2-yl)-5-ethylthiophene; hafnium(4+); dichloride Traditional Name: 2-(3H-benz[e]inden-3-id-2-yl)-5-ethyl-thiophene; hafnium(4+); dichloride Formula: C38H30Cl2HfS2 MolecularWeight: 800.1708

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C2=CC3=C([CH-]2)C=CC4=CC=CC=C43.CCC1=CC=C(S1)C2=CC3=C([CH-]2)C=CC4=CC=CC=C43.[Cl-].[Cl-].[Hf+4]

Isomeric SMILES

CCC1=CC=C(S1)C2=CC3=C([CH-]2)C=CC4=CC=CC=C43.CCC1=CC=C(S1)C2=CC3=C([CH-]2)C=CC4=CC=CC=C43.[Cl-].[Cl-].[Hf+4]

InChI

InChI=1S/2C19H15S.2ClH.Hf/c2*1-2-16-9-10-19(20-16)15-11-14-8-7-13-5-3-4-6-17(13)18(14)12-15;;;/h2*3-12H,2H2,1H3;2*1H;/q2*-1;;;+4/p-2