(Q27127094)

(1S,6R)-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylate (English)

(1R,6S)-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylate

6 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₇H₇O₄⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1=CC(C(C=C1)(C(=O)[O-])O)O

1 reference

(1S,6R)-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylate (English)

6 October 2016

isomeric SMILES

C1=C[C@H]([C@@](C=C1)(C(=O)[O-])O)O

1 reference

(1S,6R)-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylate (English)

InChI=1S/C7H8O4/c8-5-3-1-2-4-7(5,11)6(9)10/h1-5,8,11H,(H,9,10)/p-1/t5-,7+/m1/s1

6 October 2016

Identifiers

InChI

1 reference

(1S,6R)-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylate (English)

PUCYIVFXTPWJDD-VDTYLAMSSA-M

6 October 2016

InChIKey

2 references

(1S,6R)-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylate (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

cis-1,2-dihydroxycyclohexa-3,5-diene-1-carboxylate (English)

6 October 2016

2 references

(1S,6R)-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylate (English)

matched by identifier from

6 October 2016

InChIKey

PUCYIVFXTPWJDD-VDTYLAMSSA-M

ChEBI ID

60131

mapping relation type

2 references

(1S,6R)-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylate (English)