(6-ethanoyl-5-methoxy-2,2-dimethyl-4-oxidanyl-3,4-dihydrochromen-7-yl) 4-methylbenzenesulfonate

Systemtic Name: (6-ethanoyl-5-methoxy-2,2-dimethyl-4-oxidanyl-3,4-dihydrochromen-7-yl) 4-methylbenzenesulfonate Openeye Name: (6-acetyl-4-hydroxy-5-methoxy-2,2-dimethyl-chroman-7-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6-acetyl-4-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-7-yl) ester IUPAC Name: (6-acetyl-4-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromen-7-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6-acetyl-4-hydroxy-5-methoxy-2,2-dimethyl-chroman-7-yl) ester Formula: C21H24O7S MolecularWeight: 420.47606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24O7S/c1-12-6-8-14(9-7-12)29(24,25)28-17-10-16-19(15(23)11-21(3,4)27-16)20(26-5)18(17)13(2)22/h6-10,15,23H,11H2,1-5H3