(2-oxidanyl-3-oxidanylidene-2,3-diphenyl-propyl) 4-methylbenzenesulfonate

Systemtic Name: (2-oxidanyl-3-oxidanylidene-2,3-diphenyl-propyl) 4-methylbenzenesulfonate Openeye Name: (2-hydroxy-3-oxo-2,3-diphenyl-propyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-hydroxy-3-oxo-2,3-diphenylpropyl) ester IUPAC Name: (2-hydroxy-3-oxo-2,3-diphenylpropyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-hydroxy-3-keto-2,3-diphenyl-propyl) ester Formula: C22H20O5S MolecularWeight: 396.4562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20O5S/c1-17-12-14-20(15-13-17)28(25,26)27-16-22(24,19-10-6-3-7-11-19)21(23)18-8-4-2-5-9-18/h2-15,24H,16H2,1H3