2-ethylcyclopenta[b]pyrrole; 2-(1H-inden-1-id-2-yl)-5-phenyl-thiophene; zirconium(3+); dichloride

Systemtic Name: 2-ethylcyclopenta[b]pyrrole; 2-(1H-inden-1-id-2-yl)-5-phenyl-thiophene; zirconium(3+); dichloride Openeye Name: 2-ethylcyclopenta[b]pyrrole; 2-(1H-inden-1-id-2-yl)-5-phenyl-thiophene; zirconium(3+); dichloride CAS Name: 2-ethylcyclopenta[b]pyrrole; 2-(1H-inden-1-id-2-yl)-5-phenylthiophene; zirconium(3+); dichloride IUPAC Name: 2-ethylcyclopenta[b]pyrrole; 2-(1H-inden-1-id-2-yl)-5-phenylthiophene; zirconium(3+); dichloride Traditional Name: 2-ethylcyclopenta[b]pyrrole; 2-(1H-inden-1-id-2-yl)-5-phenyl-thiophene; zirconium(3+); dichloride Formula: C28H22Cl2NSZr MolecularWeight: 566.67598

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=CC=CC2=N1.[CH-]1C2=CC=CC=C2C=C1C3=CC=C(S3)C4=CC=CC=C4.[Cl-].[Cl-].[Zr+3]

Isomeric SMILES

CCC1=CC2=CC=CC2=N1.[CH-]1C2=CC=CC=C2C=C1C3=CC=C(S3)C4=CC=CC=C4.[Cl-].[Cl-].[Zr+3]

InChI

InChI=1S/C19H13S.C9H9N.2ClH.Zr/c1-2-6-14(7-3-1)18-10-11-19(20-18)17-12-15-8-4-5-9-16(15)13-17;1-2-8-6-7-4-3-5-9(7)10-8;;;/h1-13H;3-6H,2H2,1H3;2*1H;/q-1;;;;+3/p-2