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CHEBI:75345 - 2-propyn-1-yl 2,4,6-tribromophenyl phthalate

ChEBI IDCHEBI:75345
ChEBI Name2-propyn-1-yl 2,4,6-tribromophenyl phthalate
Stars
DefinitionA phthalate ester that is the mixed diester obtained by the formal condensation of carboxy groups of phthalic acid with hydroxy groups of 2,4,6-tribromophenol and prop-2-yn-1-ol respectively.
Last Modified27 August 2013
Submitternamrata
DownloadsMolfile
FormulaC17H9Br3O4
Net Charge0
Average Mass516.967
Monoisotopic Mass513.80510
SMILESC#CCOC(=O)c1ccccc1C(=O)Oc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C17H9Br3O4/c1-2-7-23-16(21)11-5-3-4-6-12(11)17(22)24-15-13(19)8-10(18)9-14(15)20/h1,3-6,8-9H,7H2
InChIKeyGAVHNVOEKPQQEY-UHFFFAOYSA-N
Roles Classification
Application:
endocrine disruptor  Any compound that can disrupt the functions of the endocrine (hormone) system
ChEBI Ontology
Outgoing Relation(s)
2-propyn-1-yl 2,4,6-tribromophenyl phthalate (CHEBI:75345) has functional parent 2,4,6-tribromophenol (CHEBI:47696)
2-propyn-1-yl 2,4,6-tribromophenyl phthalate (CHEBI:75345) has functional parent prop-2-yn-1-ol (CHEBI:28905)
2-propyn-1-yl 2,4,6-tribromophenyl phthalate (CHEBI:75345) is a organobromine compound (CHEBI:37141)
2-propyn-1-yl 2,4,6-tribromophenyl phthalate (CHEBI:75345) is a phthalate ester (CHEBI:35484)
2-propyn-1-yl 2,4,6-tribromophenyl phthalate (CHEBI:75345) is a terminal acetylenic compound (CHEBI:73477)
IUPAC Name 
prop-2-yn-1-yl 2,4,6-tribromophenyl phthalate