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CHEBI:17229 - 5-(3-hydroxy-4-acetoxybut-1-ynyl)-2,2'-bithiophene

ChEBI IDCHEBI:17229
ChEBI Name5-(3-hydroxy-4-acetoxybut-1-ynyl)-2,2'-bithiophene
Stars
Secondary ChEBI IDsCHEBI:2017, CHEBI:12089, CHEBI:20525
Last Modified13 November 2017
DownloadsMolfile
FormulaC14H12O3S2
Net Charge0
Average Mass292.381
Monoisotopic Mass292.02279
SMILESCC(=O)OCC(O)C#Cc1ccc(-c2cccs2)s1
InChIInChI=1S/C14H12O3S2/c1-10(15)17-9-11(16)4-5-12-6-7-14(19-12)13-3-2-8-18-13/h2-3,6-8,11,16H,9H2,1H3
InChIKeyPNRXZPUOVXRYEX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
5-(3-hydroxy-4-acetoxybut-1-ynyl)-2,2'-bithiophene (CHEBI:17229) is a 2,2'-bithiophenes (CHEBI:19281)
5-(3-hydroxy-4-acetoxybut-1-ynyl)-2,2'-bithiophene (CHEBI:17229) is a acetate ester (CHEBI:47622)
5-(3-hydroxy-4-acetoxybut-1-ynyl)-2,2'-bithiophene (CHEBI:17229) is a acetylenic compound (CHEBI:73474)
5-(3-hydroxy-4-acetoxybut-1-ynyl)-2,2'-bithiophene (CHEBI:17229) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
4-(2,2'-bithien-5-yl)-2-hydroxybut-3-yn-1-yl acetate
Synonyms  Source
5-(3-Hydroxy-4-acetoxybut-1-ynyl)-2,2'-bithiopheneKEGG COMPOUND
1-acetoxy-4-[2,2']bithiophenyl-5-ylbut-3-yn-2-olChEBI
UniProt Name  Source
5-(3-hydroxy-4-acetoxybut-1-ynyl)-2,2'-bithiopheneUniProt
Manual XrefsDatabases
C04711KEGG COMPOUND
Registry NumbersSources
Beilstein:1320331Beilstein