7-(3,4-dimethoxyphenyl)-5-(hydroxymethyl)-4-oxidanylidene-6,7-dihydro-5H-1-benzofuran-6-carboxylic acid

Systemtic Name: 7-(3,4-dimethoxyphenyl)-5-(hydroxymethyl)-4-oxidanylidene-6,7-dihydro-5H-1-benzofuran-6-carboxylic acid Openeye Name: 7-(3,4-dimethoxyphenyl)-5-(hydroxymethyl)-4-oxo-6,7-dihydro-5H-benzofuran-6-carboxylic acid CAS Name: 7-(3,4-dimethoxyphenyl)-5-(hydroxymethyl)-4-oxo-6,7-dihydro-5H-benzofuran-6-carboxylic acid IUPAC Name: 7-(3,4-dimethoxyphenyl)-5-(hydroxymethyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-6-carboxylic acid Traditional Name: 7-(3,4-dimethoxyphenyl)-4-keto-5-methylol-6,7-dihydro-5H-benzofuran-6-carboxylic acid Formula: C18H18O7 MolecularWeight: 346.33132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(C(C(=O)C3=C2OC=C3)CO)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C(C(C(=O)C3=C2OC=C3)CO)C(=O)O)OC

InChI

InChI=1S/C18H18O7/c1-23-12-4-3-9(7-13(12)24-2)14-15(18(21)22)11(8-19)16(20)10-5-6-25-17(10)14/h3-7,11,14-15,19H,8H2,1-2H3,(H,21,22)