ethyl 3-[2,5-bis(oxidanyl)-3-phenyl-phenyl]-6-oxidanylidene-cyclohexene-1-carboxylate

Systemtic Name: ethyl 3-[2,5-bis(oxidanyl)-3-phenyl-phenyl]-6-oxidanylidene-cyclohexene-1-carboxylate Openeye Name: ethyl 3-(2,5-dihydroxy-3-phenyl-phenyl)-6-oxo-cyclohexene-1-carboxylate CAS Name: 3-(2,5-dihydroxy-3-phenylphenyl)-6-oxo-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(2,5-dihydroxy-3-phenylphenyl)-6-oxocyclohexene-1-carboxylate Traditional Name: 3-(2,5-dihydroxy-3-phenyl-phenyl)-6-keto-cyclohexene-1-carboxylic acid ethyl ester Formula: C21H20O5 MolecularWeight: 352.3805

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(CCC1=O)C2=C(C(=CC(=C2)O)C3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)C1=CC(CCC1=O)C2=C(C(=CC(=C2)O)C3=CC=CC=C3)O

InChI

InChI=1S/C21H20O5/c1-2-26-21(25)18-10-14(8-9-19(18)23)17-12-15(22)11-16(20(17)24)13-6-4-3-5-7-13/h3-7,10-12,14,22,24H,2,8-9H2,1H3