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

Systemtic Name: 2-[[(2E)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-yl]oxy]-2-methyl-propanoic acid Openeye Name: 2-[(2E)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylene)-3-oxo-benzofuran-6-yl]oxy-2-methyl-propanoic acid CAS Name: 2-[[(2E)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3-oxo-6-benzofuranyl]oxy]-2-methylpropanoic acid IUPAC Name: 2-[[(2E)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3-oxo-1-benzofuran-6-yl]oxy]-2-methylpropanoic acid Traditional Name: 2-[(2E)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylene)-3-keto-coumaran-6-yl]oxy-2-methyl-propionic acid Formula: C21H18O7 MolecularWeight: 382.36342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18O7/c1-21(2,20(23)24)28-13-4-5-14-16(11-13)27-18(19(14)22)10-12-3-6-15-17(9-12)26-8-7-25-15/h3-6,9-11H,7-8H2,1-2H3,(H,23,24)/b18-10+