2-(4-acetyloxy-3-oxidanyl-phenyl)-7-oxidanyl-5-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-1-benzofuran-3-carboxylic acid

Systemtic Name: 2-(4-acetyloxy-3-oxidanyl-phenyl)-7-oxidanyl-5-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-1-benzofuran-3-carboxylic acid Openeye Name: 2-(4-acetoxy-3-hydroxy-phenyl)-7-hydroxy-5-[(E)-3-hydroxy-3-oxo-prop-1-enyl]benzofuran-3-carboxylic acid CAS Name: 2-(4-acetyloxy-3-hydroxyphenyl)-7-hydroxy-5-[(E)-3-hydroxy-3-oxoprop-1-enyl]-3-benzofurancarboxylic acid IUPAC Name: 2-(4-acetyloxy-3-hydroxyphenyl)-7-hydroxy-5-[(E)-3-hydroxy-3-oxoprop-1-enyl]-1-benzofuran-3-carboxylic acid Traditional Name: 2-(4-acetoxy-3-hydroxy-phenyl)-7-hydroxy-5-[(E)-3-hydroxy-3-keto-prop-1-enyl]benzofuran-3-carboxylic acid Formula: C20H14O9 MolecularWeight: 398.31976

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C2=C(C3=CC(=CC(=C3O2)O)C=CC(=O)O)C(=O)O)O

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C2=C(C3=CC(=CC(=C3O2)O)/C=C/C(=O)O)C(=O)O)O

InChI

InChI=1S/C20H14O9/c1-9(21)28-15-4-3-11(8-13(15)22)18-17(20(26)27)12-6-10(2-5-16(24)25)7-14(23)19(12)29-18/h2-8,22-23H,1H3,(H,24,25)(H,26,27)/b5-2+