ethyl (1R,2S,5S)-5-bromanyl-2-(furan-3-yl)-5-methyl-2-oxidanyl-4-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: ethyl (1R,2S,5S)-5-bromanyl-2-(furan-3-yl)-5-methyl-2-oxidanyl-4-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: ethyl (1R,2S,5S)-5-bromo-2-(3-furyl)-2-hydroxy-5-methyl-4-oxo-cyclohexanecarboxylate CAS Name: (1R,2S,5S)-5-bromo-2-(3-furanyl)-2-hydroxy-5-methyl-4-oxo-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl (1R,2S,5S)-5-bromo-2-(furan-3-yl)-2-hydroxy-5-methyl-4-oxocyclohexane-1-carboxylate Traditional Name: (1R,2S,5S)-5-bromo-2-(3-furyl)-2-hydroxy-4-keto-5-methyl-cyclohexanecarboxylic acid ethyl ester Formula: C14H17BrO5 MolecularWeight: 345.18578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(C(=O)CC1(C2=COC=C2)O)(C)Br

Isomeric SMILES

CCOC(=O)[C@@H]1C[C@](C(=O)C[C@]1(C2=COC=C2)O)(C)Br

InChI

InChI=1S/C14H17BrO5/c1-3-20-12(17)10-6-13(2,15)11(16)7-14(10,18)9-4-5-19-8-9/h4-5,8,10,18H,3,6-7H2,1-2H3/t10-,13-,14+/m0/s1