[4-[2-[2,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]-3-methylsulfonyloxy-phenyl] methanesulfonate

Systemtic Name: [4-[2-[2,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]-3-methylsulfonyloxy-phenyl] methanesulfonate Openeye Name: [4-[2-(2,4-dihydroxyphenyl)-2-oxo-ethyl]-3-methylsulfonyloxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]-3-methylsulfonyloxyphenyl] ester IUPAC Name: [4-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]-3-methylsulfonyloxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[2-(2,4-dihydroxyphenyl)-2-keto-ethyl]-3-methylsulfonyloxy-phenyl] ester Formula: C16H16O9S2 MolecularWeight: 416.42284

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC(=C(C=C1)CC(=O)C2=C(C=C(C=C2)O)O)OS(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)OC1=CC(=C(C=C1)CC(=O)C2=C(C=C(C=C2)O)O)OS(=O)(=O)C

InChI

InChI=1S/C16H16O9S2/c1-26(20,21)24-12-5-3-10(16(9-12)25-27(2,22)23)7-14(18)13-6-4-11(17)8-15(13)19/h3-6,8-9,17,19H,7H2,1-2H3