2-[[(2E)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-yl]oxy]propanoic acid

Systemtic Name: 2-[[(2E)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-yl]oxy]propanoic acid Openeye Name: 2-[(2E)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylene)-3-oxo-benzofuran-6-yl]oxypropanoic acid CAS Name: 2-[[(2E)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3-oxo-6-benzofuranyl]oxy]propanoic acid IUPAC Name: 2-[[(2E)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3-oxo-1-benzofuran-6-yl]oxy]propanoic acid Traditional Name: 2-[(2E)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylene)-3-keto-coumaran-6-yl]oxypropionic acid Formula: C20H16O7 MolecularWeight: 368.33684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=CC2=C(C=C1)C(=O)C(=CC3=CC4=C(C=C3)OCCO4)O2

Isomeric SMILES

CC(C(=O)O)OC1=CC2=C(C=C1)C(=O)/C(=C\C3=CC4=C(C=C3)OCCO4)/O2

InChI

InChI=1S/C20H16O7/c1-11(20(22)23)26-13-3-4-14-16(10-13)27-18(19(14)21)9-12-2-5-15-17(8-12)25-7-6-24-15/h2-5,8-11H,6-7H2,1H3,(H,22,23)/b18-9+