3-acetamido-5-azanyl-4-oxidanyl-benzenesulfonate

Systemtic Name: 3-acetamido-5-azanyl-4-oxidanyl-benzenesulfonate Openeye Name: 3-acetamido-5-amino-4-hydroxy-benzenesulfonate CAS Name: 3-acetamido-5-amino-4-hydroxybenzenesulfonate IUPAC Name: 3-acetamido-5-amino-4-hydroxybenzenesulfonate Traditional Name: 3-acetamido-5-amino-4-hydroxy-besylate Formula: C8H9N2O5S- MolecularWeight: 245.23246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=CC(=C1)S(=O)(=O)[O-])N)O

Isomeric SMILES

CC(=O)NC1=C(C(=CC(=C1)S(=O)(=O)[O-])N)O

InChI

InChI=1S/C8H10N2O5S/c1-4(11)10-7-3-5(16(13,14)15)2-6(9)8(7)12/h2-3,12H,9H2,1H3,(H,10,11)(H,13,14,15)/p-1