[6-methoxy-7-methyl-3-oxidanylidene-5-(2-oxidanylideneethyl)-1H-2-benzofuran-4-yl] methanesulfonate

Systemtic Name: [6-methoxy-7-methyl-3-oxidanylidene-5-(2-oxidanylideneethyl)-1H-2-benzofuran-4-yl] methanesulfonate Openeye Name: [6-methoxy-7-methyl-3-oxo-5-(2-oxoethyl)-1H-isobenzofuran-4-yl] methanesulfonate CAS Name: methanesulfonic acid [6-methoxy-7-methyl-3-oxo-5-(2-oxoethyl)-1H-isobenzofuran-4-yl] ester IUPAC Name: [6-methoxy-7-methyl-3-oxo-5-(2-oxoethyl)-1H-2-benzofuran-4-yl] methanesulfonate Traditional Name: methanesulfonic acid [3-keto-5-(2-ketoethyl)-6-methoxy-7-methyl-phthalan-4-yl] ester Formula: C13H14O7S MolecularWeight: 314.31106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)OS(=O)(=O)C)CC=O)OC

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)OS(=O)(=O)C)CC=O)OC

InChI

InChI=1S/C13H14O7S/c1-7-9-6-19-13(15)10(9)12(20-21(3,16)17)8(4-5-14)11(7)18-2/h5H,4,6H2,1-3H3