2-[(2-sulfophenyl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(2-sulfophenyl)carbonylamino]ethanoic acid Openeye Name: 2-[(2-sulfobenzoyl)amino]acetic acid CAS Name: 2-[[oxo-(2-sulfophenyl)methyl]amino]acetic acid IUPAC Name: 2-[(2-sulfobenzoyl)amino]acetic acid Traditional Name: 2-[(2-sulfobenzoyl)amino]acetic acid Formula: C9H9NO6S MolecularWeight: 259.23586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO6S/c11-8(12)5-10-9(13)6-3-1-2-4-7(6)17(14,15)16/h1-4H,5H2,(H,10,13)(H,11,12)(H,14,15,16)