sodium 3-acetamido-4-carboxy-benzenesulfonate

Systemtic Name: sodium 3-acetamido-4-carboxy-benzenesulfonate Openeye Name: sodium 3-acetamido-4-carboxy-benzenesulfonate CAS Name: sodium 3-acetamido-4-carboxybenzenesulfonate IUPAC Name: sodium 3-acetamido-4-carboxybenzenesulfonate Traditional Name: sodium 3-acetamido-4-carboxy-besylate Formula: C9H8NNaO6S MolecularWeight: 281.21769

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)[O-])C(=O)O.[Na+]

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)[O-])C(=O)O.[Na+]

InChI

InChI=1S/C9H9NO6S.Na/c1-5(11)10-8-4-6(17(14,15)16)2-3-7(8)9(12)13;/h2-4H,1H3,(H,10,11)(H,12,13)(H,14,15,16);/q;+1/p-1