[2-oxidanyl-3-oxidanylidene-2-(phenylcarbonyl)butyl] 4-methylbenzenesulfonate

Systemtic Name: [2-oxidanyl-3-oxidanylidene-2-(phenylcarbonyl)butyl] 4-methylbenzenesulfonate Openeye Name: (2-benzoyl-2-hydroxy-3-oxo-butyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-benzoyl-2-hydroxy-3-oxobutyl) ester IUPAC Name: (2-benzoyl-2-hydroxy-3-oxobutyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-benzoyl-2-hydroxy-3-keto-butyl) ester Formula: C18H18O6S MolecularWeight: 362.39692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(=O)C)(C(=O)C2=CC=CC=C2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(=O)C)(C(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C18H18O6S/c1-13-8-10-16(11-9-13)25(22,23)24-12-18(21,14(2)19)17(20)15-6-4-3-5-7-15/h3-11,21H,12H2,1-2H3