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CHEBI:30801 - terephthalate(1−)

ChEBI IDCHEBI:30801
ChEBI Nameterephthalate(1−)
Stars
ASCII Nameterephthalate(1-)
Last Modified9 September 2008
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC8H5O4
Net Charge-1
Average Mass165.124
Monoisotopic Mass165.01933
SMILESO=C([O-])c1ccc(C(=O)O)cc1
InChIInChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)/p-1
InChIKeyKKEYFWRCBNTPAC-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
terephthalate(1−) (CHEBI:30801) is a dicarboxylic acid monoanion (CHEBI:35695)
terephthalate(1−) (CHEBI:30801) is conjugate acid of terephthalate(2−) (CHEBI:30043)
terephthalate(1−) (CHEBI:30801) is conjugate base of terephthalic acid (CHEBI:15702)
Incoming Relation(s)
terephthalic acid (CHEBI:15702) is conjugate acid of terephthalate(1−) (CHEBI:30801)
terephthalate(2−) (CHEBI:30043) is conjugate base of terephthalate(1−) (CHEBI:30801)
IUPAC Name 
4-carboxybenzoate
Synonym  Source
hydrogen terephthalateChEBI
Registry NumbersSources
Gmelin:328026Gmelin
Beilstein:3590108Beilstein