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CHEBI:27056 - trans-4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoate

ChEBI IDCHEBI:27056
ChEBI Nametrans-4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoate
Stars
ASCII Nametrans-4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoate
DefinitionA 4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoate in which the acyclic double bond has E-geometry.
Last Modified13 July 2011
DownloadsMolfile
FormulaC12H7O4S
Net Charge-1
Average Mass247.251
Monoisotopic Mass247.00705
SMILESO=C([O-])C(=O)/C=C/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/b6-5+
InChIKeyCSURGFUIIZATMZ-AATRIKPKSA-M
ChEBI Ontology
Outgoing Relation(s)
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)
trans-4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoate (CHEBI:27056) is conjugate base of trans-4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoic acid (CHEBI:62606)
Incoming Relation(s)
trans-4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoic acid (CHEBI:62606) is conjugate acid of trans-4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoate (CHEBI:27056)
IUPAC Name 
(3E)-4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoate
Manual XrefsDatabases
c0198UM-BBD