2-(1,2-dihydroinden-2-id-1-yl)pyridine; 2-methyl-3aH-cyclopenta[b]thiophene; zirconium(3+); dichloride

Systemtic Name: 2-(1,2-dihydroinden-2-id-1-yl)pyridine; 2-methyl-3aH-cyclopenta[b]thiophene; zirconium(3+); dichloride Openeye Name: 2-(1,2-dihydroinden-2-id-1-yl)pyridine; 2-methyl-3aH-cyclopenta[b]thiophene; zirconium(3+); dichloride CAS Name: 2-(1,2-dihydroinden-2-id-1-yl)pyridine; 2-methyl-3aH-cyclopenta[b]thiophene; zirconium(3+); dichloride IUPAC Name: 2-(1,2-dihydroinden-2-id-1-yl)pyridine; 2-methyl-3aH-cyclopenta[b]thiophene; zirconium(3+); dichloride Traditional Name: 2-(1,2-dihydroinden-2-id-1-yl)pyridine; 2-methyl-3aH-cyclopenta[b]thiophene; zirconium(3+); dichloride Formula: C22H18Cl2NSZr MolecularWeight: 490.58002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2C=CC=C2S1.C1=CC=C2C([C-]=CC2=C1)C3=CC=CC=N3.[Cl-].[Cl-].[Zr+3]

Isomeric SMILES

CC1=CC2C=CC=C2S1.C1=CC=C2C([C-]=CC2=C1)C3=CC=CC=N3.[Cl-].[Cl-].[Zr+3]

InChI

InChI=1S/C14H10N.C8H8S.2ClH.Zr/c1-2-6-12-11(5-1)8-9-13(12)14-7-3-4-10-15-14;1-6-5-7-3-2-4-8(7)9-6;;;/h1-8,10,13H;2-5,7H,1H3;2*1H;/q-1;;;;+3/p-2