ethyl (2R,3S)-2-bromanyl-3-methyl-3-oxidanyl-octanoate

Systemtic Name: ethyl (2R,3S)-2-bromanyl-3-methyl-3-oxidanyl-octanoate Openeye Name: ethyl (2R,3S)-2-bromo-3-hydroxy-3-methyl-octanoate CAS Name: (2R,3S)-2-bromo-3-hydroxy-3-methyloctanoic acid ethyl ester IUPAC Name: ethyl (2R,3S)-2-bromo-3-hydroxy-3-methyloctanoate Traditional Name: (2R,3S)-2-bromo-3-hydroxy-3-methyl-caprylic acid ethyl ester Formula: C11H21BrO3 MolecularWeight: 281.18664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C(C(=O)OCC)Br)O

Isomeric SMILES

CCCCC[C@@](C)([C@H](C(=O)OCC)Br)O

InChI

InChI=1S/C11H21BrO3/c1-4-6-7-8-11(3,14)9(12)10(13)15-5-2/h9,14H,4-8H2,1-3H3/t9-,11-/m0/s1