2-tert-butyl-3aH-cyclopenta[b]thiophene; zirconium(2+); dichloride

Systemtic Name: 2-tert-butyl-3aH-cyclopenta[b]thiophene; zirconium(2+); dichloride Openeye Name: 2-tert-butyl-3aH-cyclopenta[b]thiophene; zirconium(2+); dichloride CAS Name: 2-tert-butyl-3aH-cyclopenta[b]thiophene; zirconium(2+); dichloride IUPAC Name: 2-tert-butyl-3aH-cyclopenta[b]thiophene; zirconium(2+); dichloride Traditional Name: 2-tert-butyl-3aH-cyclopenta[b]thiophene; zirconium(2+); dichloride Formula: C22H28Cl2S2Zr MolecularWeight: 518.71772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2C=CC=C2S1.CC(C)(C)C1=CC2C=CC=C2S1.[Cl-].[Cl-].[Zr+2]

Isomeric SMILES

CC(C)(C)C1=CC2C=CC=C2S1.CC(C)(C)C1=CC2C=CC=C2S1.[Cl-].[Cl-].[Zr+2]

InChI

InChI=1S/2C11H14S.2ClH.Zr/c2*1-11(2,3)10-7-8-5-4-6-9(8)12-10;;;/h2*4-8H,1-3H3;2*1H;/q;;;;+2/p-2