4-[[2,3-dimethoxy-5-(3-oxidanyl-3-oxidanylidene-prop-1-enyl)phenyl]sulfonylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[[2,3-dimethoxy-5-(3-oxidanyl-3-oxidanylidene-prop-1-enyl)phenyl]sulfonylamino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-4-[[5-(3-hydroxy-3-oxo-prop-1-enyl)-2,3-dimethoxy-phenyl]sulfonylamino]benzoic acid CAS Name: 2-hydroxy-4-[[5-(3-hydroxy-3-oxoprop-1-enyl)-2,3-dimethoxyphenyl]sulfonylamino]benzoic acid IUPAC Name: 2-hydroxy-4-[[5-(3-hydroxy-3-oxoprop-1-enyl)-2,3-dimethoxyphenyl]sulfonylamino]benzoic acid Traditional Name: 2-hydroxy-4-[[5-(3-hydroxy-3-keto-prop-1-enyl)-2,3-dimethoxy-phenyl]sulfonylamino]benzoic acid Formula: C18H17NO9S MolecularWeight: 423.39388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO9S/c1-27-14-7-10(3-6-16(21)22)8-15(17(14)28-2)29(25,26)19-11-4-5-12(18(23)24)13(20)9-11/h3-9,19-20H,1-2H3,(H,21,22)(H,23,24)