4-[[(E)-3-sulfoprop-2-enyl]amino]benzoic acid

Systemtic Name: 4-[[(E)-3-sulfoprop-2-enyl]amino]benzoic acid Openeye Name: 4-[[(E)-3-sulfoallyl]amino]benzoic acid CAS Name: 4-[[(E)-3-sulfoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-3-sulfoprop-2-enyl]amino]benzoic acid Traditional Name: 4-[[(E)-3-sulfoallyl]amino]benzoic acid Formula: C10H11NO5S MolecularWeight: 257.26304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NCC=CS(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC/C=C/S(=O)(=O)O

InChI

InChI=1S/C10H11NO5S/c12-10(13)8-2-4-9(5-3-8)11-6-1-7-17(14,15)16/h1-5,7,11H,6H2,(H,12,13)(H,14,15,16)/b7-1+