(Q27132040)

4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoic acid (English)

7 October 2016

chemical formula

C₁₂H₈O₄S

1 reference

4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoic acid (English)

7 October 2016

canonical SMILES

C1=CC=C2C(=C1)C(=C(S2)C=CC(=O)C(=O)O)O

1 reference

4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoic acid (English)

7 October 2016

isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)/C=C/C(=O)C(=O)O)O

1 reference

4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoic acid (English)

InChI=1S/C12H8O4S/c13-8(12(15)16)5-6-10-11(14)7-3-1-2-4-9(7)17-10/h1-6,14H,(H,15,16)/b6-5+

7 October 2016

Identifiers

InChI

1 reference

4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoic acid (English)

CSURGFUIIZATMZ-AATRIKPKSA-N

7 October 2016

InChIKey

2 references

4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoic acid (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(3E)-4-(3-Hydroxy-1-benzothiophen-2-yl)-2-oxo-3-butenoic acid (English)

7 October 2016

2 references

4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoic acid (English)

matched by identifier from

7 October 2016

InChIKey

CSURGFUIIZATMZ-AATRIKPKSA-N

ChEBI ID

62606

mapping relation type

2 references

trans-4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoic acid (English)