(Q27121543)

Benzoic acid, 2-[(1Z)-3-carboxy-3-oxo-1-propenyl]- (English)

6 October 2016

chemical formula

C₁₁H₈O₅

1 reference

Benzoic acid, 2-[(1Z)-3-carboxy-3-oxo-1-propenyl]- (English)

6 October 2016

canonical SMILES

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

1 reference

Benzoic acid, 2-[(1Z)-3-carboxy-3-oxo-1-propenyl]- (English)

6 October 2016

isomeric SMILES

C1=CC=C(C(=C1)/C=C/C(=O)C(=O)O)C(=O)O

1 reference

2-[(1E)-3-Carboxy-3-oxo-1-propen-1-yl]benzoic acid (English)

InChI=1S/C11H8O5/c12-9(11(15)16)6-5-7-3-1-2-4-8(7)10(13)14/h1-6H,(H,13,14)(H,15,16)/b6-5+

6 October 2016

Identifiers

InChI

1 reference

based on heuristic

inferred from SMILES

InChIKey

APKXMKWCGDBYNV-UHFFFAOYSA-N

2 references

Benzoic acid, 2-[(1Z)-3-carboxy-3-oxo-1-propenyl]- (English)

6 October 2016

stated in

ChEBI release 2020-09-01

2 references

4-(2-carboxyphenyl)-2-oxobut-3-enoic acid (English)

APKXMKWCGDBYNV-UHFFFAOYSA-N

6 October 2016

InChIKey

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=85896-59-9

1 reference

2-[(1E)-3-Carboxy-3-oxo-1-propen-1-yl]benzoic acid (English)

6 October 2016

1 reference

Benzoic acid, 2-[(1Z)-3-carboxy-3-oxo-1-propenyl]- (English)

6 October 2016

ChEBI ID

49223

mapping relation type

1 reference