(Q27098105)

(3S,4R)-3,4-dihydroxycyclohexa-1,5-diene-1,4-dicarboxylic acid (English)

4 October 2016

chemical formula

C₈H₈O₆

1 reference

(3S,4R)-3,4-dihydroxycyclohexa-1,5-diene-1,4-dicarboxylic acid (English)

4 October 2016

canonical SMILES

C1=CC(C(C=C1C(=O)O)O)(C(=O)O)O

1 reference

(3S,4R)-3,4-dihydroxycyclohexa-1,5-diene-1,4-dicarboxylic acid (English)

4 October 2016

isomeric SMILES

C1=C[C@@]([C@H](C=C1C(=O)O)O)(C(=O)O)O

1 reference

(3S,4R)-3,4-dihydroxycyclohexa-1,5-diene-1,4-dicarboxylic acid (English)

InChI=1S/C8H8O6/c9-5-3-4(6(10)11)1-2-8(5,14)7(12)13/h1-3,5,9,14H,(H,10,11)(H,12,13)/t5-,8+/m0/s1

4 October 2016

Identifiers

InChI

1 reference

(3S,4R)-3,4-dihydroxycyclohexa-1,5-diene-1,4-dicarboxylic acid (English)

4 October 2016

2 references

(3S,4R)-3,4-dihydroxycyclohexa-1,5-diene-1,4-dicarboxylic acid (English)

4 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

161578-47-8

1 reference

https://commonchemistry.cas.org/detail?cas_rn=161578-47-8

10 April 2021

1 reference

(3S,4R)-3,4-Dihydroxy-1,5-cyclohexadiene-1,4-dicarboxylic acid (English)

4 October 2016

2 references

(3S,4R)-3,4-dihydroxycyclohexa-1,5-diene-1,4-dicarboxylic acid (English)

matched by identifier from

4 October 2016

ChEBI ID

15564

mapping relation type

2 references

(3S,4R)-3,4-dihydroxycyclohexa-1,5-diene-1,4-dicarboxylic acid (English)

matched by identifier from

4 October 2016

International Chemical Identifier

InChI

InChI=1S/C8H8O6/c9-5-3-4(6(10)11)1-2-8(5,14)7(12)13/h1-3,5,9,14H,(H,10,11)(H,12,13)/t5-,8+/m0/s1

1 reference

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

matched by identifier from