ethyl 4-(4-acetyloxyphenyl)-6-oxidanyl-3-oxidanylidene-3a,4,5,6,7,7a-hexahydro-1H-2-benzofuran-5-carboxylate

Systemtic Name: ethyl 4-(4-acetyloxyphenyl)-6-oxidanyl-3-oxidanylidene-3a,4,5,6,7,7a-hexahydro-1H-2-benzofuran-5-carboxylate Openeye Name: ethyl 4-(4-acetoxyphenyl)-6-hydroxy-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-isobenzofuran-5-carboxylate CAS Name: 4-(4-acetyloxyphenyl)-6-hydroxy-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-isobenzofuran-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-acetyloxyphenyl)-6-hydroxy-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-2-benzofuran-5-carboxylate Traditional Name: 4-(4-acetoxyphenyl)-6-hydroxy-3-keto-3a,4,5,6,7,7a-hexahydro-1H-isobenzofuran-5-carboxylic acid ethyl ester Formula: C19H22O7 MolecularWeight: 362.37378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC2COC(=O)C2C1C3=CC=C(C=C3)OC(=O)C)O

Isomeric SMILES

CCOC(=O)C1C(CC2COC(=O)C2C1C3=CC=C(C=C3)OC(=O)C)O

InChI

InChI=1S/C19H22O7/c1-3-24-19(23)17-14(21)8-12-9-25-18(22)16(12)15(17)11-4-6-13(7-5-11)26-10(2)20/h4-7,12,14-17,21H,3,8-9H2,1-2H3