ethyl 2-oxidanyl-4-oxidanylidene-3-propanoyl-6-(3-propanoyloxyphenyl)cyclohex-2-ene-1-carboxylate

Systemtic Name: ethyl 2-oxidanyl-4-oxidanylidene-3-propanoyl-6-(3-propanoyloxyphenyl)cyclohex-2-ene-1-carboxylate Openeye Name: ethyl 2-hydroxy-4-oxo-3-propanoyl-6-(3-propanoyloxyphenyl)cyclohex-2-ene-1-carboxylate CAS Name: 2-hydroxy-4-oxo-6-[3-(1-oxopropoxy)phenyl]-3-(1-oxopropyl)-1-cyclohex-2-enecarboxylic acid ethyl ester IUPAC Name: ethyl 2-hydroxy-4-oxo-3-propanoyl-6-(3-propanoyloxyphenyl)cyclohex-2-ene-1-carboxylate Traditional Name: 2-hydroxy-4-keto-3-propionyl-6-(3-propionyloxyphenyl)cyclohex-2-ene-1-carboxylic acid ethyl ester Formula: C21H24O7 MolecularWeight: 388.41106

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C(C(CC1=O)C2=CC(=CC=C2)OC(=O)CC)C(=O)OCC)O

Isomeric SMILES

CCC(=O)C1=C(C(C(CC1=O)C2=CC(=CC=C2)OC(=O)CC)C(=O)OCC)O

InChI

InChI=1S/C21H24O7/c1-4-15(22)19-16(23)11-14(18(20(19)25)21(26)27-6-3)12-8-7-9-13(10-12)28-17(24)5-2/h7-10,14,18,25H,4-6,11H2,1-3H3