sodium; benzenesulfonic acid; 2-methyl-1H-pyrazol-5-one

Systemtic Name: sodium; benzenesulfonic acid; 2-methyl-1H-pyrazol-5-one Openeye Name: sodium; benzenesulfonic acid; 2-methyl-1H-pyrazol-5-one CAS Name: sodium; benzenesulfonic acid; 2-methyl-1H-pyrazol-5-one IUPAC Name: sodium; benzenesulfonic acid; 2-methyl-1H-pyrazol-5-one Traditional Name: sodium; besylic acid; 1-methyl-3-pyrazolin-3-one Formula: C10H11N2NaO4S MolecularWeight: 278.26011

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=O)N1.C1=CC(=C[C-]=C1)S(=O)(=O)O.[Na+]

Isomeric SMILES

CN1C=CC(=O)N1.C1=CC(=C[C-]=C1)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C6H5O3S.C4H6N2O.Na/c7-10(8,9)6-4-2-1-3-5-6;1-6-3-2-4(7)5-6;/h1-2,4-5H,(H,7,8,9);2-3H,1H3,(H,5,7);/q-1;;+1