[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-bromanyl-3-oxidanylidene-butanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-bromanyl-3-oxidanylidene-butanoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 2-bromo-3-oxo-butanoate CAS Name: 2-bromo-3-oxobutanoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-bromo-3-oxobutanoate Traditional Name: 2-bromo-3-keto-butyric acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C14H23BrO3 MolecularWeight: 319.23462

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(C(=O)C)Br)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C(C(=O)C)Br)C(C)C

InChI

InChI=1S/C14H23BrO3/c1-8(2)11-6-5-9(3)7-12(11)18-14(17)13(15)10(4)16/h8-9,11-13H,5-7H2,1-4H3/t9-,11+,12-,13?/m1/s1