Chem
J-GLOBAL ID：201007075106928070   Nikkaji number：J2.802.704D

2-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate

2-フルオロシクロヘキサジエン-cis,cis-1,2-ジオール-1-カルボン酸
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C7H7FO4
Molecular formula furigana： C7-H7-F-O4
Molecular weight： 174.127
InChI： InChI=1S/C7H7FO4/c8-7(12)4-2-1-3-6(7,11)5(9)10/h1-4,11-12H,(H,9,10)/t6-,7-/m0/s1
InChI key： NFSYZVMLOFNIDD-BQBZGAKWSA-N
SMILES： OC(=O)[C@@]1(O)C=CC=C[C@@]1(O)F
Systematic name  (3)：
  • (1S,2R)-2-フルオロ-1,2-ジヒドロキシ-3,5-シクロヘキサジエン-1-カルボン酸
  • (1S,6R)-6-フルオロ-1,6-ジヒドロキシシクロヘキサ-2,4-ジエン-1-カルボン酸
  • (1S,6R)-6-fluoro-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylic acid
Other name (3)：
  • (1S,2R)-2-Fluoro-1,2-dihydroxy-3,5-cyclohexadiene-1-carboxylic acid
  • 2-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate
  • 2-フルオロシクロヘキサジエン-cis,cis-1,2-ジオール-1-カルボン酸
KEGG COMPOUND： C16482
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