(1S,6R)-3,5-Dibromo-1,6-dihydroxy-4-methoxy-2,4-Cyclohexadiene-1-acetonitrile
[CAS# 28656-91-9]

Identification

• Name: (1S,6R)-3,5-Dibromo-1,6-dihydroxy-4-methoxy-2,4-Cyclohexadiene-1-acetonitrile
• Synonyms: 2-[(1S,6R)-3,5-Dibromo-1,6-Dihydroxy-4-Methoxy-1-Cyclohexa-2,4-Dienyl]Ethanenitrile; 3,5-Dibromo-1,5-Dihydroxy-4-Methoxy-2,4-Cyclohexadiene-1-Acetonitrile; (+)-Aeroplysinin I
• Molecular Formula: C₉H₉Br₂NO₃
• Molecular Weight: 338.98
• CAS Registry Number: 28656-91-9
• SMILES: [C@]1([C@H](C(=C(C(=C1)Br)OC)Br)O)(CC#N)O
• InChI: 1S/C9H9Br2NO3/c1-15-7-5(10)4-9(14,2-3-12)8(13)6(7)11/h4,8,13-14H,2H2,1H3/t8-,9-/m0/s1
• InChIKey: BGYNLOSBKBOJJD-IUCAKERBSA-N