[2-methylsulfonyloxy-4-[(6-methylsulfonyloxy-4-oxidanyl-3-oxidanylidene-1-benzofuran-2-yl)methyl]phenyl] methanesulfonate

Systemtic Name: [2-methylsulfonyloxy-4-[(6-methylsulfonyloxy-4-oxidanyl-3-oxidanylidene-1-benzofuran-2-yl)methyl]phenyl] methanesulfonate Openeye Name: [4-[(4-hydroxy-6-methylsulfonyloxy-3-oxo-benzofuran-2-yl)methyl]-2-methylsulfonyloxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[(4-hydroxy-6-methylsulfonyloxy-3-oxo-2-benzofuranyl)methyl]-2-methylsulfonyloxyphenyl] ester IUPAC Name: [4-[(4-hydroxy-6-methylsulfonyloxy-3-oxo-1-benzofuran-2-yl)methyl]-2-methylsulfonyloxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[(4-hydroxy-3-keto-6-methylsulfonyloxy-coumaran-2-yl)methyl]-2-methylsulfonyloxy-phenyl] ester Formula: C18H18O12S3 MolecularWeight: 522.52332

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=C(C=C(C=C1)CC2C(=O)C3=C(C=C(C=C3O2)OS(=O)(=O)C)O)OS(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)OC1=C(C=C(C=C1)CC2C(=O)C3=C(C=C(C=C3O2)OS(=O)(=O)C)O)OS(=O)(=O)C

InChI

InChI=1S/C18H18O12S3/c1-31(21,22)28-11-8-12(19)17-15(9-11)27-16(18(17)20)7-10-4-5-13(29-32(2,23)24)14(6-10)30-33(3,25)26/h4-6,8-9,16,19H,7H2,1-3H3