4-methylbenzenesulfonate; nickel

Systemtic Name: 4-methylbenzenesulfonate; nickel Openeye Name: 4-methylbenzenesulfonate; nickel CAS Name: 4-methylbenzenesulfonate; nickel IUPAC Name: 4-methylbenzenesulfonate; nickel Traditional Name: nickel ditosylate Formula: C14H14NiO6S2-2 MolecularWeight: 401.08076

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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-].[Ni]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].[Ni]

InChI

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