[2-(hydroxymethylamino)-2-oxidanylidene-ethyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(hydroxymethylamino)-2-oxidanylidene-ethyl] 4-methylbenzenesulfonate Openeye Name: [2-(hydroxymethylamino)-2-oxo-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(hydroxymethylamino)-2-oxoethyl] ester IUPAC Name: [2-(hydroxymethylamino)-2-oxoethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-keto-2-(methylolamino)ethyl] ester Formula: C10H13NO5S MolecularWeight: 259.27892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(=O)NCO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(=O)NCO

InChI

InChI=1S/C10H13NO5S/c1-8-2-4-9(5-3-8)17(14,15)16-6-10(13)11-7-12/h2-5,12H,6-7H2,1H3,(H,11,13)