CHEBI:174871 - 1,3-Diacetoxy-4,6,12-tetradecatriene-8,10-diyne

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 1,3-Diacetoxy-4,6,12-tetradecatriene-8,10-diyne
ChEBI ID CHEBI:174871
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H20O4
Net Charge 0
Average Mass 300.354
Monoisotopic Mass 300.13616
InChI InChI=1S/C18H20O4/c1-4-5-6-7-8-9-10-11-12-13-18(22-17(3)20)14-15-21-16(2)19/h4-5,10-13,18H,14-15H2,1-3H3/b5-4+,11-10+,13-12+
InChIKey PGHCYQUSYHWJAI-NOPLWHKLSA-N
SMILES O(C(CCOC(=O)C)/C=C/C=C/C#CC#C\C=C\C)C(=O)C
ChEBI Ontology
Outgoing 1,3-Diacetoxy-4,6,12-tetradecatriene-8,10-diyne (CHEBI:174871) is a carboxylic ester (CHEBI:33308)
IUPAC Name
[(4E,6E,12E)-3-acetyloxytetradeca-4,6,12-trien-8,10-diynyl] acetate
Manual Xref Database
7972116 ChemSpider
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