4-acetamido-2,5-dimethyl-benzenesulfonic acid

Systemtic Name: 4-acetamido-2,5-dimethyl-benzenesulfonic acid Openeye Name: 4-acetamido-2,5-dimethyl-benzenesulfonic acid CAS Name: 4-acetamido-2,5-dimethylbenzenesulfonic acid IUPAC Name: 4-acetamido-2,5-dimethylbenzenesulfonic acid Traditional Name: 4-acetamido-2,5-dimethyl-besylic acid Formula: C10H13NO4S MolecularWeight: 243.27952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)O)C)NC(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)O)C)NC(=O)C

InChI

InChI=1S/C10H13NO4S/c1-6-5-10(16(13,14)15)7(2)4-9(6)11-8(3)12/h4-5H,1-3H3,(H,11,12)(H,13,14,15)