2-(4-acetamido-2,5-dimethyl-phenyl)-2-oxidanylidene-ethanesulfonic acid

Systemtic Name: 2-(4-acetamido-2,5-dimethyl-phenyl)-2-oxidanylidene-ethanesulfonic acid Openeye Name: 2-(4-acetamido-2,5-dimethyl-phenyl)-2-oxo-ethanesulfonic acid CAS Name: 2-(4-acetamido-2,5-dimethylphenyl)-2-oxoethanesulfonic acid IUPAC Name: 2-(4-acetamido-2,5-dimethylphenyl)-2-oxoethanesulfonic acid Traditional Name: 2-(4-acetamido-2,5-dimethyl-phenyl)-2-keto-ethanesulfonic acid Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)CS(=O)(=O)O)C)NC(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)CS(=O)(=O)O)C)NC(=O)C

InChI

InChI=1S/C12H15NO5S/c1-7-5-11(13-9(3)14)8(2)4-10(7)12(15)6-19(16,17)18/h4-5H,6H2,1-3H3,(H,13,14)(H,16,17,18)