ethyl (1S,6R)-2-oxidanyl-4-oxidanylidene-6-(4-pentoxyphenyl)cyclohex-2-ene-1-carboxylate

Systemtic Name: ethyl (1S,6R)-2-oxidanyl-4-oxidanylidene-6-(4-pentoxyphenyl)cyclohex-2-ene-1-carboxylate Openeye Name: ethyl (1S,6R)-2-hydroxy-4-oxo-6-(4-pentoxyphenyl)cyclohex-2-ene-1-carboxylate CAS Name: (1S,6R)-2-hydroxy-4-oxo-6-(4-pentoxyphenyl)-1-cyclohex-2-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,6R)-2-hydroxy-4-oxo-6-(4-pentoxyphenyl)cyclohex-2-ene-1-carboxylate Traditional Name: (1S,6R)-6-(4-amoxyphenyl)-2-hydroxy-4-keto-cyclohex-2-ene-1-carboxylic acid ethyl ester Formula: C20H26O5 MolecularWeight: 346.41744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2CC(=O)C=C(C2C(=O)OCC)O

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)[C@@H]2CC(=O)C=C([C@H]2C(=O)OCC)O

InChI

InChI=1S/C20H26O5/c1-3-5-6-11-25-16-9-7-14(8-10-16)17-12-15(21)13-18(22)19(17)20(23)24-4-2/h7-10,13,17,19,22H,3-6,11-12H2,1-2H3/t17-,19-/m0/s1