5-acetamido-2-methyl-benzenesulfonic acid

Systemtic Name: 5-acetamido-2-methyl-benzenesulfonic acid Openeye Name: 5-acetamido-2-methyl-benzenesulfonic acid CAS Name: 5-acetamido-2-methylbenzenesulfonic acid IUPAC Name: 5-acetamido-2-methylbenzenesulfonic acid Traditional Name: 5-acetamido-2-methyl-besylic acid Formula: C9H11NO4S MolecularWeight: 229.25294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C)S(=O)(=O)O

InChI

InChI=1S/C9H11NO4S/c1-6-3-4-8(10-7(2)11)5-9(6)15(12,13)14/h3-5H,1-2H3,(H,10,11)(H,12,13,14)