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CHEBI:35904 - 4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoate

Default Structure
ChEBI IDCHEBI:35904
ChEBI Name4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoate
Stars
DefinitionA 2-oxo monocarboxylic acid anion resulting from the deprotonation of the carboxy group of a 4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoic acid.
Last Modified13 July 2011
DownloadsMolfile
FormulaC12H7O4S
Net Charge-1
Average Mass247.251
Monoisotopic Mass247.00705
SMILES[H]C(=CC(=O)C(=O)[O-])c1sc2ccccc2c1O
InChIInChI=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)/p-1
InChIKeyCSURGFUIIZATMZ-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoate (CHEBI:35904) has functional parent but-3-enoate (CHEBI:35900)
4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoate (CHEBI:35904) is a 1-benzothiophenes (CHEBI:38836)
4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoate (CHEBI:35904) is a 2-oxo monocarboxylic acid anion (CHEBI:35179)
4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoate (CHEBI:35904) is conjugate base of 4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoic acid (CHEBI:62604)
Incoming Relation(s)
cis-4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoate (CHEBI:23297) is a 4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoate (CHEBI:35904)
trans-4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoate (CHEBI:27056) is a 4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoate (CHEBI:35904)
4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoic acid (CHEBI:62604) is conjugate acid of 4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoate (CHEBI:35904)
IUPAC Name 
4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoate