(3-ethanoyl-4-oxidanyl-phenyl)methanesulfonic acid

Systemtic Name: (3-ethanoyl-4-oxidanyl-phenyl)methanesulfonic acid Openeye Name: (3-acetyl-4-hydroxy-phenyl)methanesulfonic acid CAS Name: (3-acetyl-4-hydroxyphenyl)methanesulfonic acid IUPAC Name: (3-acetyl-4-hydroxyphenyl)methanesulfonic acid Traditional Name: (3-acetyl-4-hydroxy-phenyl)methanesulfonic acid Formula: C9H10O5S MolecularWeight: 230.2377

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)CS(=O)(=O)O)O

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)CS(=O)(=O)O)O

InChI

InChI=1S/C9H10O5S/c1-6(10)8-4-7(2-3-9(8)11)5-15(12,13)14/h2-4,11H,5H2,1H3,(H,12,13,14)