methyl (1S,2S,3S)-3-bromanyl-2-methoxy-4-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: methyl (1S,2S,3S)-3-bromanyl-2-methoxy-4-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl (1S,2S,3S)-3-bromo-2-methoxy-4-oxo-cyclohexanecarboxylate CAS Name: (1S,2S,3S)-3-bromo-2-methoxy-4-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2S,3S)-3-bromo-2-methoxy-4-oxocyclohexane-1-carboxylate Traditional Name: (1S,2S,3S)-3-bromo-4-keto-2-methoxy-cyclohexanecarboxylic acid methyl ester Formula: C9H13BrO4 MolecularWeight: 265.10112

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(CCC(=O)C1Br)C(=O)OC

Isomeric SMILES

CO[C@H]1[C@H](CCC(=O)[C@H]1Br)C(=O)OC

InChI

InChI=1S/C9H13BrO4/c1-13-8-5(9(12)14-2)3-4-6(11)7(8)10/h5,7-8H,3-4H2,1-2H3/t5-,7+,8-/m0/s1