sodium 3-azanyl-4-carboxy-benzenesulfonate

Systemtic Name: sodium 3-azanyl-4-carboxy-benzenesulfonate Openeye Name: sodium 3-amino-4-carboxy-benzenesulfonate CAS Name: sodium 3-amino-4-carboxybenzenesulfonate IUPAC Name: sodium 3-amino-4-carboxybenzenesulfonate Traditional Name: sodium 3-amino-4-carboxy-besylate Formula: C7H6NNaO5S MolecularWeight: 239.18101

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)[O-])N)C(=O)O.[Na+]

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)[O-])N)C(=O)O.[Na+]

InChI

InChI=1S/C7H7NO5S.Na/c8-6-3-4(14(11,12)13)1-2-5(6)7(9)10;/h1-3H,8H2,(H,9,10)(H,11,12,13);/q;+1/p-1