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

Systemtic Name: 2-(3H-cyclopenta[a]naphthalen-3-id-2-yl)-5-propyl-thiophene; hafnium(4+); dichloride Openeye Name: 2-(3H-cyclopenta[a]naphthalen-3-id-2-yl)-5-propyl-thiophene; hafnium(4+); dichloride CAS Name: 2-(3H-cyclopenta[a]naphthalen-3-id-2-yl)-5-propylthiophene; hafnium(4+); dichloride IUPAC Name: 2-(3H-cyclopenta[a]naphthalen-3-id-2-yl)-5-propylthiophene; hafnium(4+); dichloride Traditional Name: 2-(3H-benz[e]inden-3-id-2-yl)-5-propyl-thiophene; hafnium(4+); dichloride Formula: C40H34Cl2HfS2 MolecularWeight: 828.22396

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(S1)C2=CC3=C([CH-]2)C=CC4=CC=CC=C43.CCCC1=CC=C(S1)C2=CC3=C([CH-]2)C=CC4=CC=CC=C43.[Cl-].[Cl-].[Hf+4]

Isomeric SMILES

CCCC1=CC=C(S1)C2=CC3=C([CH-]2)C=CC4=CC=CC=C43.CCCC1=CC=C(S1)C2=CC3=C([CH-]2)C=CC4=CC=CC=C43.[Cl-].[Cl-].[Hf+4]

InChI

InChI=1S/2C20H17S.2ClH.Hf/c2*1-2-5-17-10-11-20(21-17)16-12-15-9-8-14-6-3-4-7-18(14)19(15)13-16;;;/h2*3-4,6-13H,2,5H2,1H3;2*1H;/q2*-1;;;+4/p-2