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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C)S(=O)(=O)O)C

InChI

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