4-methylbenzenesulfonate; zirconium(2+)

Systemtic Name: 4-methylbenzenesulfonate; zirconium(2+) Openeye Name: 4-methylbenzenesulfonate; zirconium(2+) CAS Name: 4-methylbenzenesulfonate; zirconium(2+) IUPAC Name: 4-methylbenzenesulfonate; zirconium(2+) Traditional Name: zirconium(2+) ditosylate Formula: C14H14O6S2Zr MolecularWeight: 433.61136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].[Zr+2]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].[Zr+2]

InChI

InChI=1S/2C7H8O3S.Zr/c2*1-6-2-4-7(5-3-6)11(8,9)10;/h2*2-5H,1H3,(H,8,9,10);/q;;+2/p-2