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

Systemtic Name: [(1S,4R,5S,6S)-6-bromanyl-4-ethanoyl-5-oxidanyl-cyclohex-2-en-1-yl] ethanoate Openeye Name: [(1S,4R,5S,6S)-4-acetyl-6-bromo-5-hydroxy-cyclohex-2-en-1-yl] acetate CAS Name: acetic acid [(1S,4R,5S,6S)-4-acetyl-6-bromo-5-hydroxy-1-cyclohex-2-enyl] ester IUPAC Name: [(1S,4R,5S,6S)-4-acetyl-6-bromo-5-hydroxycyclohex-2-en-1-yl] acetate Traditional Name: acetic acid [(1S,4R,5S,6S)-4-acetyl-6-bromo-5-hydroxy-cyclohex-2-en-1-yl] ester Formula: C10H13BrO4 MolecularWeight: 277.11182

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C=CC(C(C1O)Br)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C10H13BrO4/c1-5(12)7-3-4-8(15-6(2)13)9(11)10(7)14/h3-4,7-10,14H,1-2H3/t7-,8-,9+,10-/m0/s1