methyl (2R,3R)-2-[3,4-bis(oxidanyl)phenyl]-4-methanoyl-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxylate

Systemtic Name: methyl (2R,3R)-2-[3,4-bis(oxidanyl)phenyl]-4-methanoyl-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxylate Openeye Name: methyl (2R,3R)-2-(3,4-dihydroxyphenyl)-4-formyl-7-methoxy-2,3-dihydrobenzofuran-3-carboxylate CAS Name: (2R,3R)-2-(3,4-dihydroxyphenyl)-4-formyl-7-methoxy-2,3-dihydrobenzofuran-3-carboxylic acid methyl ester IUPAC Name: methyl (2R,3R)-2-(3,4-dihydroxyphenyl)-4-formyl-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxylate Traditional Name: (2R,3R)-2-(3,4-dihydroxyphenyl)-4-formyl-7-methoxy-coumaran-3-carboxylic acid methyl ester Formula: C18H16O7 MolecularWeight: 344.31544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)C=O)C(C(O2)C3=CC(=C(C=C3)O)O)C(=O)OC

Isomeric SMILES

COC1=C2C(=C(C=C1)C=O)[C@H]([C@@H](O2)C3=CC(=C(C=C3)O)O)C(=O)OC

InChI

InChI=1S/C18H16O7/c1-23-13-6-4-10(8-19)14-15(18(22)24-2)16(25-17(13)14)9-3-5-11(20)12(21)7-9/h3-8,15-16,20-21H,1-2H3/t15-,16+/m1/s1