2-acetamido-4-sulfonato-benzoate

Systemtic Name: 2-acetamido-4-sulfonato-benzoate Openeye Name: 2-acetamido-4-sulfonato-benzoate CAS Name: 2-acetamido-4-sulfonatobenzoate IUPAC Name: 2-acetamido-4-sulfonatobenzoate Traditional Name: 2-acetamido-4-sulfonato-benzoate Formula: C9H7NO6S-2 MolecularWeight: 257.21998

Click to see the large picture

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)/p-2