4-[(E)-(3,3-dimethoxypropanoylamino)oxyiminomethyl]benzenesulfonic acid

Systemtic Name: 4-[(E)-(3,3-dimethoxypropanoylamino)oxyiminomethyl]benzenesulfonic acid Openeye Name: 4-[(E)-(3,3-dimethoxypropanoylamino)oxyiminomethyl]benzenesulfonic acid CAS Name: 4-[(E)-[(3,3-dimethoxy-1-oxopropyl)amino]oxyiminomethyl]benzenesulfonic acid IUPAC Name: 4-[(E)-(3,3-dimethoxypropanoylamino)oxyiminomethyl]benzenesulfonic acid Traditional Name: 4-[(E)-(3,3-dimethoxypropanoylamino)oximinomethyl]besylic acid Formula: C12H16N2O7S MolecularWeight: 332.32964

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Descriptors Computed from Structure

Canonical SMILES:

COC(CC(=O)NON=CC1=CC=C(C=C1)S(=O)(=O)O)OC

Isomeric SMILES

COC(CC(=O)NO/N=C/C1=CC=C(C=C1)S(=O)(=O)O)OC

InChI

InChI=1S/C12H16N2O7S/c1-19-12(20-2)7-11(15)14-21-13-8-9-3-5-10(6-4-9)22(16,17)18/h3-6,8,12H,7H2,1-2H3,(H,14,15)(H,16,17,18)/b13-8+