diethyl (1R,2S,3S,4R)-2-(5-bromanyl-2-methoxy-phenyl)-4-methyl-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate

Systemtic Name: diethyl (1R,2S,3S,4R)-2-(5-bromanyl-2-methoxy-phenyl)-4-methyl-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate Openeye Name: diethyl (1R,2S,3S,4R)-2-(5-bromo-2-methoxy-phenyl)-4-hydroxy-4-methyl-6-oxo-cyclohexane-1,3-dicarboxylate CAS Name: (1R,2S,3S,4R)-2-(5-bromo-2-methoxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl (1R,2S,3S,4R)-2-(5-bromo-2-methoxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate Traditional Name: (1R,2S,3S,4R)-2-(5-bromo-2-methoxy-phenyl)-4-hydroxy-6-keto-4-methyl-cyclohexane-1,3-dicarboxylic acid diethyl ester Formula: C20H25BrO7 MolecularWeight: 457.3123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H]([C@@H]([C@](CC1=O)(C)O)C(=O)OCC)C2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C20H25BrO7/c1-5-27-18(23)16-13(22)10-20(3,25)17(19(24)28-6-2)15(16)12-9-11(21)7-8-14(12)26-4/h7-9,15-17,25H,5-6,10H2,1-4H3/t15-,16+,17-,20-/m1/s1