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CHEBI:30803 - isophthalate(2−)

ChEBI IDCHEBI:30803
ChEBI Nameisophthalate(2−)
Stars
ASCII Nameisophthalate(2-)
Last Modified24 May 2019
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC8H4O4
Net Charge-2
Average Mass164.116
Monoisotopic Mass164.01206
SMILESO=C([O-])c1cccc(C(=O)[O-])c1
InChIInChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)/p-2
InChIKeyQQVIHTHCMHWDBS-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
isophthalate(2−) (CHEBI:30803) is a dicarboxylic acid dianion (CHEBI:28965)
isophthalate(2−) (CHEBI:30803) is conjugate base of isophthalate(1−) (CHEBI:30804)
Incoming Relation(s)
isophthalate(1−) (CHEBI:30804) is conjugate acid of isophthalate(2−) (CHEBI:30803)
IUPAC Name 
benzene-1,3-dicarboxylate
Synonyms  Source
1,3-benzenedicarboxylateChEBI
isophthalateIUPAC
UniProt Name  Source
isophthalateUniProt
Registry NumbersSources
Gmelin:328933Gmelin
Beilstein:3906186Beilstein