4-methylbenzenesulfonic acid; pyran-2-one

Systemtic Name: 4-methylbenzenesulfonic acid; pyran-2-one Openeye Name: 4-methylbenzenesulfonic acid; pyran-2-one CAS Name: 4-methylbenzenesulfonic acid; 2-pyranone IUPAC Name: 4-methylbenzenesulfonic acid; pyran-2-one Traditional Name: pyran-2-one; tosylic acid Formula: C12H12O5S MolecularWeight: 268.28568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=O)OC=C1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=O)OC=C1

InChI

InChI=1S/C7H8O3S.C5H4O2/c1-6-2-4-7(5-3-6)11(8,9)10;6-5-3-1-2-4-7-5/h2-5H,1H3,(H,8,9,10);1-4H