3-carboxy-cis,cis-muconic acid (Q4634124)

(1E,3Z)-buta-1,3-diene-1,2,4-tricarboxylic acid (English)

4 October 2016

chemical formula

C₇H₆O₆

1 reference

(1E,3Z)-buta-1,3-diene-1,2,4-tricarboxylic acid (English)

4 October 2016

canonical SMILES

C(=CC(=O)O)C(=CC(=O)O)C(=O)O

1 reference

(1E,3Z)-buta-1,3-diene-1,2,4-tricarboxylic acid (English)

4 October 2016

isomeric SMILES

C(=C\C(=O)O)\C(=C/C(=O)O)\C(=O)O

1 reference

(1E,3Z)-buta-1,3-diene-1,2,4-tricarboxylic acid (English)

InChI=1S/C7H6O6/c8-5(9)2-1-4(7(12)13)3-6(10)11/h1-3H,(H,8,9)(H,10,11)(H,12,13)/b2-1-,4-3+

4 October 2016

Identifiers

InChI

1 reference

(1E,3Z)-buta-1,3-diene-1,2,4-tricarboxylic acid (English)

KJOVGYUGXHIVAY-BXTBVDPRSA-N

4 October 2016

InChIKey

2 references

(1E,3Z)-buta-1,3-diene-1,2,4-tricarboxylic acid (English)

imported from Wikimedia project

4 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

1116-26-3

2 references

English Wikipedia

InChIKey

KJOVGYUGXHIVAY-BXTBVDPRSA-N

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=1116-26-3

1 reference

(1E,3Z)-1,3-Butadiene-1,2,4-tricarboxylic acid (English)

4 October 2016

1 reference

(1E,3Z)-buta-1,3-diene-1,2,4-tricarboxylic acid (English)

4 October 2016

ChEBI ID

15749

mapping relation type

2 references

3-carboxy-cis,cis-muconic acid (English)

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

4 October 2016

stated in

ChEBI release 2019-10-02

1 reference

1 reference

DSSTOX compound identifier

0 references

0 references

2 references

3-carboxy-cis,cis-muconic acid (English)