(1-chloranyl-2-oxidanyl-1-oxidanylidene-propan-2-yl) 4-methylbenzenesulfonate

Systemtic Name: (1-chloranyl-2-oxidanyl-1-oxidanylidene-propan-2-yl) 4-methylbenzenesulfonate Openeye Name: (2-chloro-1-hydroxy-1-methyl-2-oxo-ethyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-chloro-2-hydroxy-1-oxopropan-2-yl) ester IUPAC Name: (1-chloro-2-hydroxy-1-oxopropan-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-chloro-1-hydroxy-2-keto-1-methyl-ethyl) ester Formula: C10H11ClO5S MolecularWeight: 278.70934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)(C(=O)Cl)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C)(C(=O)Cl)O

InChI

InChI=1S/C10H11ClO5S/c1-7-3-5-8(6-4-7)17(14,15)16-10(2,13)9(11)12/h3-6,13H,1-2H3