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

Systemtic Name: [6-methoxy-7-methyl-3-oxidanylidene-5-(2-oxidanylideneethyl)-1H-2-benzofuran-4-yl] 4-methylbenzenesulfonate Openeye Name: [6-methoxy-7-methyl-3-oxo-5-(2-oxoethyl)-1H-isobenzofuran-4-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic 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] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-keto-5-(2-ketoethyl)-6-methoxy-7-methyl-phthalan-4-yl] ester Formula: C19H18O7S MolecularWeight: 390.40702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C(C3=C2C(=O)OC3)C)OC)CC=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C(C3=C2C(=O)OC3)C)OC)CC=O

InChI

InChI=1S/C19H18O7S/c1-11-4-6-13(7-5-11)27(22,23)26-18-14(8-9-20)17(24-3)12(2)15-10-25-19(21)16(15)18/h4-7,9H,8,10H2,1-3H3