[2-ethanoyl-3,5-bis(oxidanyl)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-ethanoyl-3,5-bis(oxidanyl)phenyl] 4-methylbenzenesulfonate Openeye Name: (2-acetyl-3,5-dihydroxy-phenyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-acetyl-3,5-dihydroxyphenyl) ester IUPAC Name: (2-acetyl-3,5-dihydroxyphenyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-acetyl-3,5-dihydroxy-phenyl) ester Formula: C15H14O6S MolecularWeight: 322.33306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC(=C2C(=O)C)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC(=C2C(=O)C)O)O

InChI

InChI=1S/C15H14O6S/c1-9-3-5-12(6-4-9)22(19,20)21-14-8-11(17)7-13(18)15(14)10(2)16/h3-8,17-18H,1-2H3