(2-methyl-2-oxidanyl-3-oxidanylidene-3-phenyl-propyl) 4-methylbenzenesulfonate

Systemtic Name: (2-methyl-2-oxidanyl-3-oxidanylidene-3-phenyl-propyl) 4-methylbenzenesulfonate Openeye Name: (2-hydroxy-2-methyl-3-oxo-3-phenyl-propyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-hydroxy-2-methyl-3-oxo-3-phenylpropyl) ester IUPAC Name: (2-hydroxy-2-methyl-3-oxo-3-phenylpropyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-hydroxy-3-keto-2-methyl-3-phenyl-propyl) ester Formula: C17H18O5S MolecularWeight: 334.38682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18O5S/c1-13-8-10-15(11-9-13)23(20,21)22-12-17(2,19)16(18)14-6-4-3-5-7-14/h3-11,19H,12H2,1-2H3