(2-methyl-2-oxidanyl-3-oxidanylidene-1,3-diphenyl-propyl) 4-methylbenzenesulfonate

Systemtic Name: (2-methyl-2-oxidanyl-3-oxidanylidene-1,3-diphenyl-propyl) 4-methylbenzenesulfonate Openeye Name: (2-hydroxy-2-methyl-3-oxo-1,3-diphenyl-propyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-hydroxy-2-methyl-3-oxo-1,3-diphenylpropyl) ester IUPAC Name: (2-hydroxy-2-methyl-3-oxo-1,3-diphenylpropyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-hydroxy-3-keto-2-methyl-1,3-diphenyl-propyl) ester Formula: C23H22O5S MolecularWeight: 410.48278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22O5S/c1-17-13-15-20(16-14-17)29(26,27)28-22(19-11-7-4-8-12-19)23(2,25)21(24)18-9-5-3-6-10-18/h3-16,22,25H,1-2H3