2-ethyl-3aH-cyclopenta[b]thiophene; 2-(1H-inden-1-id-2-yl)-5-methyl-pyridine; zirconium(3+); dichloride

Systemtic Name: 2-ethyl-3aH-cyclopenta[b]thiophene; 2-(1H-inden-1-id-2-yl)-5-methyl-pyridine; zirconium(3+); dichloride Openeye Name: 2-ethyl-3aH-cyclopenta[b]thiophene; 2-(1H-inden-1-id-2-yl)-5-methyl-pyridine; zirconium(3+); dichloride CAS Name: 2-ethyl-3aH-cyclopenta[b]thiophene; 2-(1H-inden-1-id-2-yl)-5-methylpyridine; zirconium(3+); dichloride IUPAC Name: 2-ethyl-3aH-cyclopenta[b]thiophene; 2-(1H-inden-1-id-2-yl)-5-methylpyridine; zirconium(3+); dichloride Traditional Name: 2-ethyl-3aH-cyclopenta[b]thiophene; 2-(1H-inden-1-id-2-yl)-5-methyl-pyridine; zirconium(3+); dichloride Formula: C24H22Cl2NSZr MolecularWeight: 518.63318

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2C=CC=C2S1.CC1=CN=C(C=C1)C2=CC3=CC=CC=C3[CH-]2.[Cl-].[Cl-].[Zr+3]

Isomeric SMILES

CCC1=CC2C=CC=C2S1.CC1=CN=C(C=C1)C2=CC3=CC=CC=C3[CH-]2.[Cl-].[Cl-].[Zr+3]

InChI

InChI=1S/C15H12N.C9H10S.2ClH.Zr/c1-11-6-7-15(16-10-11)14-8-12-4-2-3-5-13(12)9-14;1-2-8-6-7-4-3-5-9(7)10-8;;;/h2-10H,1H3;3-7H,2H2,1H3;2*1H;/q-1;;;;+3/p-2