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

Systemtic Name: ethyl 3-(3,4-dimethoxyphenyl)-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromene-2-carboxylate Openeye Name: ethyl 3-(3,4-dimethoxyphenyl)-4-hydroxy-7-oxo-5,6,8,8a-tetrahydrochromene-2-carboxylate CAS Name: 3-(3,4-dimethoxyphenyl)-4-hydroxy-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(3,4-dimethoxyphenyl)-4-hydroxy-7-oxo-5,6,8,8a-tetrahydrochromene-2-carboxylate Traditional Name: 3-(3,4-dimethoxyphenyl)-4-hydroxy-7-keto-5,6,8,8a-tetrahydrochromene-2-carboxylic acid ethyl ester Formula: C20H22O7 MolecularWeight: 374.38448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C2CCC(=O)CC2O1)O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(C(=C2CCC(=O)CC2O1)O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H22O7/c1-4-26-20(23)19-17(11-5-8-14(24-2)16(9-11)25-3)18(22)13-7-6-12(21)10-15(13)27-19/h5,8-9,15,22H,4,6-7,10H2,1-3H3