4-methylbenzenesulfonic acid; pyrazolidin-3-one

Systemtic Name: 4-methylbenzenesulfonic acid; pyrazolidin-3-one Openeye Name: 4-methylbenzenesulfonic acid; pyrazolidin-3-one CAS Name: 4-methylbenzenesulfonic acid; 3-pyrazolidinone IUPAC Name: 4-methylbenzenesulfonic acid; pyrazolidin-3-one Traditional Name: pyrazolidin-3-one; tosylic acid Formula: C10H14N2O4S MolecularWeight: 258.29416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CNNC1=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CNNC1=O

InChI

InChI=1S/C7H8O3S.C3H6N2O/c1-6-2-4-7(5-3-6)11(8,9)10;6-3-1-2-4-5-3/h2-5H,1H3,(H,8,9,10);4H,1-2H2,(H,5,6)