(6-ethanoyl-2,2-dimethyl-5-oxidanyl-4-oxidanylidene-3H-chromen-7-yl) 4-methylbenzenesulfonate

Systemtic Name: (6-ethanoyl-2,2-dimethyl-5-oxidanyl-4-oxidanylidene-3H-chromen-7-yl) 4-methylbenzenesulfonate Openeye Name: (6-acetyl-5-hydroxy-2,2-dimethyl-4-oxo-chroman-7-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6-acetyl-5-hydroxy-2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl) ester IUPAC Name: (6-acetyl-5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6-acetyl-5-hydroxy-4-keto-2,2-dimethyl-chroman-7-yl) ester Formula: C20H20O7S MolecularWeight: 404.4336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C3C(=O)CC(OC3=C2)(C)C)O)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C3C(=O)CC(OC3=C2)(C)C)O)C(=O)C

InChI

InChI=1S/C20H20O7S/c1-11-5-7-13(8-6-11)28(24,25)27-16-9-15-18(19(23)17(16)12(2)21)14(22)10-20(3,4)26-15/h5-9,23H,10H2,1-4H3