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

Systemtic Name: 4-[[3,4-dimethoxy-5-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]sulfonylamino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-4-[[3-[(E)-3-hydroxy-3-oxo-prop-1-enyl]-4,5-dimethoxy-phenyl]sulfonylamino]benzoic acid CAS Name: 2-hydroxy-4-[[3-[(E)-3-hydroxy-3-oxoprop-1-enyl]-4,5-dimethoxyphenyl]sulfonylamino]benzoic acid IUPAC Name: 2-hydroxy-4-[[3-[(E)-3-hydroxy-3-oxoprop-1-enyl]-4,5-dimethoxyphenyl]sulfonylamino]benzoic acid Traditional Name: 2-hydroxy-4-[[3-[(E)-3-hydroxy-3-keto-prop-1-enyl]-4,5-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)S(=O)(=O)NC2=CC(=C(C=C2)C(=O)O)O)C=CC(=O)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO9S/c1-27-15-9-12(7-10(17(15)28-2)3-6-16(21)22)29(25,26)19-11-4-5-13(18(23)24)14(20)8-11/h3-9,19-20H,1-2H3,(H,21,22)(H,23,24)/b6-3+