4-methylbenzenesulfonic acid; 1H-pyridin-2-one

Systemtic Name: 4-methylbenzenesulfonic acid; 1H-pyridin-2-one Openeye Name: 4-methylbenzenesulfonic acid; 1H-pyridin-2-one CAS Name: 4-methylbenzenesulfonic acid; 1H-pyridin-2-one IUPAC Name: 4-methylbenzenesulfonic acid; 1H-pyridin-2-one Traditional Name: 2-pyridone; tosylic acid Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C5H5NO/c1-6-2-4-7(5-3-6)11(8,9)10;7-5-3-1-2-4-6-5/h2-5H,1H3,(H,8,9,10);1-4H,(H,6,7)