2-ethyl-3aH-cyclopenta[b]thiophene; 2-(1H-inden-1-id-2-yl)pyridine; zirconium(3+); dichloride

Systemtic Name: 2-ethyl-3aH-cyclopenta[b]thiophene; 2-(1H-inden-1-id-2-yl)pyridine; zirconium(3+); dichloride Openeye Name: 2-ethyl-3aH-cyclopenta[b]thiophene; 2-(1H-inden-1-id-2-yl)pyridine; zirconium(3+); dichloride CAS Name: 2-ethyl-3aH-cyclopenta[b]thiophene; 2-(1H-inden-1-id-2-yl)pyridine; zirconium(3+); dichloride IUPAC Name: 2-ethyl-3aH-cyclopenta[b]thiophene; 2-(1H-inden-1-id-2-yl)pyridine; zirconium(3+); dichloride Traditional Name: 2-ethyl-3aH-cyclopenta[b]thiophene; 2-(1H-inden-1-id-2-yl)pyridine; zirconium(3+); dichloride Formula: C23H20Cl2NSZr MolecularWeight: 504.6066

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2C=CC=C2S1.[CH-]1C2=CC=CC=C2C=C1C3=CC=CC=N3.[Cl-].[Cl-].[Zr+3]

Isomeric SMILES

CCC1=CC2C=CC=C2S1.[CH-]1C2=CC=CC=C2C=C1C3=CC=CC=N3.[Cl-].[Cl-].[Zr+3]

InChI

InChI=1S/C14H10N.C9H10S.2ClH.Zr/c1-2-6-12-10-13(9-11(12)5-1)14-7-3-4-8-15-14;1-2-8-6-7-4-3-5-9(7)10-8;;;/h1-10H;3-7H,2H2,1H3;2*1H;/q-1;;;;+3/p-2