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

Systemtic Name: [2-oxidanyl-3-oxidanylidene-3-phenyl-2-(phenylcarbonyl)propyl] 4-methylbenzenesulfonate Openeye Name: (2-benzoyl-2-hydroxy-3-oxo-3-phenyl-propyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-benzoyl-2-hydroxy-3-oxo-3-phenylpropyl) ester IUPAC Name: (2-benzoyl-2-hydroxy-3-oxo-3-phenylpropyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-benzoyl-2-hydroxy-3-keto-3-phenyl-propyl) ester Formula: C23H20O6S MolecularWeight: 424.4663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(=O)C2=CC=CC=C2)(C(=O)C3=CC=CC=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(=O)C2=CC=CC=C2)(C(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C23H20O6S/c1-17-12-14-20(15-13-17)30(27,28)29-16-23(26,21(24)18-8-4-2-5-9-18)22(25)19-10-6-3-7-11-19/h2-15,26H,16H2,1H3