ethyl 6-(3-bromophenyl)-4-(5-methyl-2-oxidanyl-phenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl 6-(3-bromophenyl)-4-(5-methyl-2-oxidanyl-phenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl 6-(3-bromophenyl)-4-(2-hydroxy-5-methyl-phenyl)-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: 6-(3-bromophenyl)-4-(2-hydroxy-5-methylphenyl)-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl 6-(3-bromophenyl)-4-(2-hydroxy-5-methylphenyl)-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: 6-(3-bromophenyl)-4-(2-hydroxy-5-methyl-phenyl)-2-keto-cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C22H21BrO4 MolecularWeight: 429.30374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(=CC1=O)C2=C(C=CC(=C2)C)O)C3=CC(=CC=C3)Br

Isomeric SMILES

CCOC(=O)C1C(CC(=CC1=O)C2=C(C=CC(=C2)C)O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C22H21BrO4/c1-3-27-22(26)21-18(14-5-4-6-16(23)10-14)11-15(12-20(21)25)17-9-13(2)7-8-19(17)24/h4-10,12,18,21,24H,3,11H2,1-2H3