ethyl 3-(4-methoxyphenyl)-4,5-bis(oxidanyl)-7-oxidanylidene-5,6,8,8a-tetrahydrochromene-2-carboxylate

Systemtic Name: ethyl 3-(4-methoxyphenyl)-4,5-bis(oxidanyl)-7-oxidanylidene-5,6,8,8a-tetrahydrochromene-2-carboxylate Openeye Name: ethyl 4,5-dihydroxy-3-(4-methoxyphenyl)-7-oxo-5,6,8,8a-tetrahydrochromene-2-carboxylate CAS Name: 4,5-dihydroxy-3-(4-methoxyphenyl)-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dihydroxy-3-(4-methoxyphenyl)-7-oxo-5,6,8,8a-tetrahydrochromene-2-carboxylate Traditional Name: 4,5-dihydroxy-7-keto-3-(4-methoxyphenyl)-5,6,8,8a-tetrahydrochromene-2-carboxylic acid ethyl ester Formula: C19H20O7 MolecularWeight: 360.3579

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C2C(CC(=O)CC2O1)O)O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=C(C(=C2C(CC(=O)CC2O1)O)O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H20O7/c1-3-25-19(23)18-15(10-4-6-12(24-2)7-5-10)17(22)16-13(21)8-11(20)9-14(16)26-18/h4-7,13-14,21-22H,3,8-9H2,1-2H3