(Q27149565)

5-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate (English)

8 October 2016

chemical formula

C₇H₇FO₄

1 reference

5-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate (English)

8 October 2016

canonical SMILES

C1=CC(=CC(C1O)(C(=O)O)O)F

1 reference

5-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate (English)

8 October 2016

isomeric SMILES

C1=CC(=C[C@]([C@@H]1O)(C(=O)O)O)F

1 reference

5-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate (English)

InChI=1S/C7H7FO4/c8-4-1-2-5(9)7(12,3-4)6(10)11/h1-3,5,9,12H,(H,10,11)/t5-,7+/m1/s1

8 October 2016

Identifiers

InChI

1 reference

5-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate (English)

SFLUOXSDNSKORB-VDTYLAMSSA-N

8 October 2016

InChIKey

2 references

5-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate (English)

8 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(1S,6R)-3-Fluoro-1,6-dihydroxy-2,4-cyclohexadiene-1-carboxylic acid (English)

8 October 2016

2 references

5-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate (English)

matched by identifier from

8 October 2016

InChIKey

SFLUOXSDNSKORB-VDTYLAMSSA-N

ChEBI ID

80521

mapping relation type

2 references

5-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate (English)

matched by identifier from

8 October 2016

International Chemical Identifier

InChI

InChI=1S/C7H7FO4/c8-4-1-2-5(9)7(12,3-4)6(10)11/h1-3,5,9,12H,(H,10,11)/t5-,7+/m1/s1

1 reference

1 reference

5-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate (English)