[5-methoxy-2-(phenylcarbonyl)phenyl] 3-methylsulfonylbenzenesulfonate

Systemtic Name: [5-methoxy-2-(phenylcarbonyl)phenyl] 3-methylsulfonylbenzenesulfonate Openeye Name: (2-benzoyl-5-methoxy-phenyl) 3-methylsulfonylbenzenesulfonate CAS Name: 3-methylsulfonylbenzenesulfonic acid (2-benzoyl-5-methoxyphenyl) ester IUPAC Name: (2-benzoyl-5-methoxyphenyl) 3-methylsulfonylbenzenesulfonate Traditional Name: 3-mesylbenzenesulfonic acid (2-benzoyl-5-methoxy-phenyl) ester Formula: C21H18O7S2 MolecularWeight: 446.49342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)OS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)C

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)OS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)C

InChI

InChI=1S/C21H18O7S2/c1-27-16-11-12-19(21(22)15-7-4-3-5-8-15)20(13-16)28-30(25,26)18-10-6-9-17(14-18)29(2,23)24/h3-14H,1-2H3