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CHEBI:58071 - mono(2-ethylhexyl) phthalate(1−)

Default Structure
ChEBI IDCHEBI:58071
ChEBI Namemono(2-ethylhexyl) phthalate(1−)
Stars
ASCII Namemono(2-ethylhexyl) phthalate(1-)
DefinitionConjugate base of mono(2-ethylhexyl) phthalate arising from deprotonation of the free carboxy group; major species at pH 7.3.
Last Modified13 November 2017
DownloadsMolfile
FormulaC16H21O4
Net Charge-1
Average Mass277.340
Monoisotopic Mass277.14453
SMILESCCCCC(CC)COC(=O)c1ccccc1C(=O)[O-]
InChIInChI=1S/C16H22O4/c1-3-5-8-12(4-2)11-20-16(19)14-10-7-6-9-13(14)15(17)18/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,18)/p-1
InChIKeyDJDSLBVSSOQSLW-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
mono(2-ethylhexyl) phthalate(1−) (CHEBI:58071) is a benzoates (CHEBI:22718)
mono(2-ethylhexyl) phthalate(1−) (CHEBI:58071) is conjugate base of mono(2-ethylhexyl) phthalate (CHEBI:17243)
Incoming Relation(s)
mono(2-ethylhexyl) phthalate (CHEBI:17243) is conjugate acid of mono(2-ethylhexyl) phthalate(1−) (CHEBI:58071)
IUPAC Name 
2-{[(2-ethylhexyl)oxy]carbonyl}benzoate
Synonym  Source
mono(2-ethylhexyl) phthalate anionChEBI
UniProt Name  Source
2-ethylhexyl phthalateUniProt