methyl 2-[3,4-bis(oxidanyl)phenyl]-5-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]-7-oxidanyl-1-benzofuran-3-carboxylate

Systemtic Name: methyl 2-[3,4-bis(oxidanyl)phenyl]-5-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]-7-oxidanyl-1-benzofuran-3-carboxylate Openeye Name: methyl 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(E)-3-methoxy-3-oxo-prop-1-enyl]benzofuran-3-carboxylate CAS Name: 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(E)-3-methoxy-3-oxoprop-1-enyl]-3-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(E)-3-methoxy-3-oxoprop-1-enyl]-1-benzofuran-3-carboxylate Traditional Name: 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(E)-3-keto-3-methoxy-prop-1-enyl]benzofuran-3-carboxylic acid methyl ester Formula: C20H16O8 MolecularWeight: 384.33624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=CC(=C2C(=C1)C(=C(O2)C3=CC(=C(C=C3)O)O)C(=O)OC)O

Isomeric SMILES

COC(=O)/C=C/C1=CC(=C2C(=C1)C(=C(O2)C3=CC(=C(C=C3)O)O)C(=O)OC)O

InChI

InChI=1S/C20H16O8/c1-26-16(24)6-3-10-7-12-17(20(25)27-2)18(28-19(12)15(23)8-10)11-4-5-13(21)14(22)9-11/h3-9,21-23H,1-2H3/b6-3+