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PubChem CID 53249652.
The molecular formula is C7H10O4S.
The molecular weight is 190.22 g/mol.
The IUPAC name is 3-methylbenzenesulfonic acid;hydrate.
The InChI is InChI=1S/C7H8O3S.H2O/c1-6-3-2-4-7(5-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);1H2.
The InChIKey is GHLYGGIKYFLYTH-UHFFFAOYSA-N.
The Canonical SMILES is CC1=CC(=CC=C1)S(=O)(=O)O.O.
The CAS number is 342385-54-0.
The EC number is 684-160-2.
Yes, m-Toluenesulfonic acid hydrate is a canonicalized compound.
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