4-methylbenzenesulfonic acid sulfate

Systemtic Name: 4-methylbenzenesulfonic acid sulfate Openeye Name: 4-methylbenzenesulfonic acid sulfate CAS Name: 4-methylbenzenesulfonic acid sulfate IUPAC Name: 4-methylbenzenesulfonic acid sulfate Traditional Name: tosylic acid sulfate Formula: C7H8O7S2-2 MolecularWeight: 268.26422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.H2O4S/c1-6-2-4-7(5-3-6)11(8,9)10;1-5(2,3)4/h2-5H,1H3,(H,8,9,10);(H2,1,2,3,4)/p-2