2-(4-azanyl-3-sulfo-phenyl)ethanoic acid

Systemtic Name: 2-(4-azanyl-3-sulfo-phenyl)ethanoic acid Openeye Name: 2-(4-amino-3-sulfo-phenyl)acetic acid CAS Name: 2-(4-amino-3-sulfophenyl)acetic acid IUPAC Name: 2-(4-amino-3-sulfophenyl)acetic acid Traditional Name: 2-(4-amino-3-sulfo-phenyl)acetic acid Formula: C8H9NO5S MolecularWeight: 231.22576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(=O)O)S(=O)(=O)O)N

Isomeric SMILES

C1=CC(=C(C=C1CC(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C8H9NO5S/c9-6-2-1-5(4-8(10)11)3-7(6)15(12,13)14/h1-3H,4,9H2,(H,10,11)(H,12,13,14)