[(1R,4S,5R,6S)-5-bromanyl-4,6-bis(oxidanyl)cyclohex-2-en-1-yl] ethanoate

Systemtic Name: [(1R,4S,5R,6S)-5-bromanyl-4,6-bis(oxidanyl)cyclohex-2-en-1-yl] ethanoate Openeye Name: [(1R,4S,5R,6S)-5-bromo-4,6-dihydroxy-cyclohex-2-en-1-yl] acetate CAS Name: acetic acid [(1R,4S,5R,6S)-5-bromo-4,6-dihydroxy-1-cyclohex-2-enyl] ester IUPAC Name: [(1R,4S,5R,6S)-5-bromo-4,6-dihydroxycyclohex-2-en-1-yl] acetate Traditional Name: acetic acid [(1R,4S,5R,6S)-5-bromo-4,6-dihydroxy-cyclohex-2-en-1-yl] ester Formula: C8H11BrO4 MolecularWeight: 251.07454

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C=CC(C(C1O)Br)O

Isomeric SMILES

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

InChI

InChI=1S/C8H11BrO4/c1-4(10)13-6-3-2-5(11)7(9)8(6)12/h2-3,5-8,11-12H,1H3/t5-,6+,7+,8-/m0/s1