2-acetamido-4-sulfo-benzoic acid

Systemtic Name: 2-acetamido-4-sulfo-benzoic acid Openeye Name: 2-acetamido-4-sulfo-benzoic acid CAS Name: 2-acetamido-4-sulfobenzoic acid IUPAC Name: 2-acetamido-4-sulfobenzoic acid Traditional Name: 2-acetamido-4-sulfo-benzoic acid Formula: C9H9NO6S MolecularWeight: 259.23586

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)O)C(=O)O

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C9H9NO6S/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)