(1-oxidanylidene-1-phenyl-propan-2-yl) 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 2-methyl-5-methylsulfonyl-benzoate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18O5S/c1-12-9-10-15(24(3,21)22)11-16(12)18(20)23-13(2)17(19)14-7-5-4-6-8-14/h4-11,13H,1-3H3