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CHEBI:62605 - cis-4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoic acid

ChEBI IDCHEBI:62605
ChEBI Namecis-4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoic acid
Stars
ASCII Namecis-4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoic acid
DefinitionA 4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoic acid in which the acyclic double bond has Z-geometry.
Last Modified13 July 2011
SubmitterGareth Owen
DownloadsMolfile
FormulaC12H8O4S
Net Charge0
Average Mass248.259
Monoisotopic Mass248.01433
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)/b6-5-
InChIKeyCSURGFUIIZATMZ-WAYWQWQTSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
cis-4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoic acid (CHEBI:62605) is a 4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoic acid (CHEBI:62604)
cis-4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoic acid (CHEBI:62605) is conjugate acid of cis-4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoate (CHEBI:23297)
Incoming Relation(s)
cis-4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoate (CHEBI:23297) is conjugate base of cis-4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoic acid (CHEBI:62605)
IUPAC Name 
(3Z)-4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoic acid