4-methylbenzenesulfonate; nickel(2+); hexahydrate

Systemtic Name: 4-methylbenzenesulfonate; nickel(2+); hexahydrate Openeye Name: nickelous 4-methylbenzenesulfonate hexahydrate CAS Name: 4-methylbenzenesulfonate; nickel(2+); hexahydrate IUPAC Name: 4-methylbenzenesulfonate; nickel(2+); hexahydrate Traditional Name: nickelous tosylate hexahydrate Formula: C7H19NiO9S+ MolecularWeight: 337.97876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.Ni.6H2O/c1-6-2-4-7(5-3-6)11(8,9)10;;;;;;;/h2-5H,1H3,(H,8,9,10);;6*1H2/q;+2;;;;;;/p-1