4-methylbenzenesulfonic acid; 4-thia-1-azabicyclo[3.2.0]heptan-7-one

Systemtic Name: 4-methylbenzenesulfonic acid; 4-thia-1-azabicyclo[3.2.0]heptan-7-one Openeye Name: 4-methylbenzenesulfonic acid; 4-thia-1-azabicyclo[3.2.0]heptan-7-one CAS Name: 4-methylbenzenesulfonic acid; 4-thia-1-azabicyclo[3.2.0]heptan-7-one IUPAC Name: 4-methylbenzenesulfonic acid; 4-thia-1-azabicyclo[3.2.0]heptan-7-one Traditional Name: 4-thia-1-azabicyclo[3.2.0]heptan-7-one; tosylic acid Formula: C12H15NO4S2 MolecularWeight: 301.3818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CSC2N1C(=O)C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CSC2N1C(=O)C2

InChI

InChI=1S/C7H8O3S.C5H7NOS/c1-6-2-4-7(5-3-6)11(8,9)10;7-4-3-5-6(4)1-2-8-5/h2-5H,1H3,(H,8,9,10);5H,1-3H2