CHEBI:174269 - 5-Sulfo-1,3-benzenedicarboxylic acid

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ChEBI Name 5-Sulfo-1,3-benzenedicarboxylic acid
ChEBI ID CHEBI:174269
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C8H6O7S
Net Charge 0
Average Mass 246.190
Monoisotopic Mass 245.98342
InChI InChI=1S/C8H6O7S/c9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15/h1-3H,(H,9,10)(H,11,12)(H,13,14,15)
InChIKey CARJPEPCULYFFP-UHFFFAOYSA-N
SMILES S(O)(=O)(=O)C1=CC(=CC(=C1)C(O)=O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 5-Sulfo-1,3-benzenedicarboxylic acid (CHEBI:174269) is a sulfobenzoic acid (CHEBI:26825)
IUPAC Name
5-sulobenzene-1,3-dicarboxylic acid
Manual Xrefs Databases
72881 ChemSpider
HMDB0032822 HMDB
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Registry Number Type Source
22326-31-4 CAS Registry Number ChemIDplus