sodium 4-acetamido-3-methyl-benzenesulfonate

Systemtic Name: sodium 4-acetamido-3-methyl-benzenesulfonate Openeye Name: sodium 4-acetamido-3-methyl-benzenesulfonate CAS Name: sodium 4-acetamido-3-methylbenzenesulfonate IUPAC Name: sodium 4-acetamido-3-methylbenzenesulfonate Traditional Name: sodium 4-acetamido-3-methyl-besylate Formula: C9H10NNaO4S MolecularWeight: 251.23477

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)[O-])NC(=O)C.[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)[O-])NC(=O)C.[Na+]

InChI

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