[(2S)-3-methyl-3-oxidanyl-1-oxidanylidene-1-phenyl-butan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-3-methyl-3-oxidanyl-1-oxidanylidene-1-phenyl-butan-2-yl] 4-methylbenzenesulfonate Openeye Name: [(1S)-1-benzoyl-2-hydroxy-2-methyl-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-3-hydroxy-3-methyl-1-oxo-1-phenylbutan-2-yl] ester IUPAC Name: [(2S)-3-hydroxy-3-methyl-1-oxo-1-phenylbutan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S)-1-benzoyl-2-hydroxy-2-methyl-propyl] ester Formula: C18H20O5S MolecularWeight: 348.4134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H](C(=O)C2=CC=CC=C2)C(C)(C)O

InChI

InChI=1S/C18H20O5S/c1-13-9-11-15(12-10-13)24(21,22)23-17(18(2,3)20)16(19)14-7-5-4-6-8-14/h4-12,17,20H,1-3H3/t17-/m1/s1