2-[(3-sulfooxyphenyl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(3-sulfooxyphenyl)carbonylamino]ethanoic acid Openeye Name: 2-[(3-sulfooxybenzoyl)amino]acetic acid CAS Name: 2-[[oxo-(3-sulfooxyphenyl)methyl]amino]acetic acid IUPAC Name: 2-[(3-sulfooxybenzoyl)amino]acetic acid Traditional Name: 2-[(3-sulfoxybenzoyl)amino]acetic acid Formula: C9H9NO7S MolecularWeight: 275.23526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OS(=O)(=O)O)C(=O)NCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)OS(=O)(=O)O)C(=O)NCC(=O)O

InChI

InChI=1S/C9H9NO7S/c11-8(12)5-10-9(13)6-2-1-3-7(4-6)17-18(14,15)16/h1-4H,5H2,(H,10,13)(H,11,12)(H,14,15,16)