3-[[2,3-dimethoxy-5-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]sulfonylamino]benzoic acid

Systemtic Name: 3-[[2,3-dimethoxy-5-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]sulfonylamino]benzoic acid Openeye Name: 3-[[5-[(E)-3-hydroxy-3-oxo-prop-1-enyl]-2,3-dimethoxy-phenyl]sulfonylamino]benzoic acid CAS Name: 3-[[5-[(E)-3-hydroxy-3-oxoprop-1-enyl]-2,3-dimethoxyphenyl]sulfonylamino]benzoic acid IUPAC Name: 3-[[5-[(E)-3-hydroxy-3-oxoprop-1-enyl]-2,3-dimethoxyphenyl]sulfonylamino]benzoic acid Traditional Name: 3-[[5-[(E)-3-hydroxy-3-keto-prop-1-enyl]-2,3-dimethoxy-phenyl]sulfonylamino]benzoic acid Formula: C18H17NO8S MolecularWeight: 407.39448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)O)S(=O)(=O)NC2=CC=CC(=C2)C(=O)O)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)O)S(=O)(=O)NC2=CC=CC(=C2)C(=O)O)OC

InChI

InChI=1S/C18H17NO8S/c1-26-14-8-11(6-7-16(20)21)9-15(17(14)27-2)28(24,25)19-13-5-3-4-12(10-13)18(22)23/h3-10,19H,1-2H3,(H,20,21)(H,22,23)/b7-6+