[4-[2-(2,2-dimethyl-5-oxidanyl-chromen-6-yl)-2-oxidanylidene-ethyl]-3-methylsulfonyloxy-phenyl] methanesulfonate

Systemtic Name: [4-[2-(2,2-dimethyl-5-oxidanyl-chromen-6-yl)-2-oxidanylidene-ethyl]-3-methylsulfonyloxy-phenyl] methanesulfonate Openeye Name: [4-[2-(5-hydroxy-2,2-dimethyl-chromen-6-yl)-2-oxo-ethyl]-3-methylsulfonyloxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[2-(5-hydroxy-2,2-dimethyl-1-benzopyran-6-yl)-2-oxoethyl]-3-methylsulfonyloxyphenyl] ester IUPAC Name: [4-[2-(5-hydroxy-2,2-dimethylchromen-6-yl)-2-oxoethyl]-3-methylsulfonyloxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[2-(5-hydroxy-2,2-dimethyl-chromen-6-yl)-2-keto-ethyl]-3-methylsulfonyloxy-phenyl] ester Formula: C21H22O9S2 MolecularWeight: 482.52398

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC2=C(O1)C=CC(=C2O)C(=O)CC3=C(C=C(C=C3)OS(=O)(=O)C)OS(=O)(=O)C)C

Isomeric SMILES

CC1(C=CC2=C(O1)C=CC(=C2O)C(=O)CC3=C(C=C(C=C3)OS(=O)(=O)C)OS(=O)(=O)C)C

InChI

InChI=1S/C21H22O9S2/c1-21(2)10-9-16-18(28-21)8-7-15(20(16)23)17(22)11-13-5-6-14(29-31(3,24)25)12-19(13)30-32(4,26)27/h5-10,12,23H,11H2,1-4H3