(1-oxidanylidene-1-phenyl-propan-2-yl) 4-(methylsulfonylmethyl)benzoate

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 4-(methylsulfonylmethyl)benzoate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 4-(methylsulfonylmethyl)benzoate CAS Name: 4-(methylsulfonylmethyl)benzoic acid (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 4-(methylsulfonylmethyl)benzoate Traditional Name: 4-(mesylmethyl)benzoic acid (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C18H18O5S MolecularWeight: 346.39752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)CS(=O)(=O)C

Isomeric SMILES

CC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)CS(=O)(=O)C

InChI

InChI=1S/C18H18O5S/c1-13(17(19)15-6-4-3-5-7-15)23-18(20)16-10-8-14(9-11-16)12-24(2,21)22/h3-11,13H,12H2,1-2H3