CHEBI:30789 - 4-sulfobenzoic acid

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ChEBI Name 4-sulfobenzoic acid ChEBI ID CHEBI:30789 Definition A sulfobenzoic acid in which the sulfonic acid and carboxylic acid groups are in a para-relationship. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:20477, CHEBI:1936 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C7H6O5S Net Charge 0 Average Mass 202.18554 Monoisotopic Mass 201.99359 InChI InChI=1S/C7H6O5S/c8-7(9)5-1-3-6(4-2-5)13(10,11)12/h1-4H,(H,8,9)(H,10,11,12) InChIKey HWAQOZGATRIYQG-UHFFFAOYSA-N SMILES OC(=O)c1ccc(cc1)S(O)(=O)=O Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 4-sulfobenzoic acid (CHEBI:30789) has functional parent benzoic acid (CHEBI:30746) 4-sulfobenzoic acid (CHEBI:30789) is a sulfobenzoic acid (CHEBI:26825) 4-sulfobenzoic acid (CHEBI:30789) is conjugate acid of 4-sulfobenzoate(1−) (CHEBI:16309) 4-sulfobenzoic acid (CHEBI:30789) is conjugate acid of 4-sulfonatobenzoate(2−) (CHEBI:20476) Incoming 4-sulfobenzoate(1−) (CHEBI:16309) is conjugate base of 4-sulfobenzoic acid (CHEBI:30789) 4-sulfonatobenzoate(2−) (CHEBI:20476) is conjugate base of 4-sulfobenzoic acid (CHEBI:30789) IUPAC Name 4-sulfobenzoic acid Synonyms Sources 4-Sulfobenzoic acid KEGG COMPOUND 4-sulphobenzoic acid ChEBI HO3S‒C6H4‒COOH ChEBI p-sulfobenzoic acid ChemIDplus para-sulfobenzoic acid ChemIDplus Manual Xref Database C02236 KEGG COMPOUND View more database links Registry Numbers Types Sources 1524793 Gmelin Registry Number Gmelin 2212420 Reaxys Registry Number Reaxys 2212420 Beilstein Registry Number Beilstein 636-78-2 CAS Registry Number KEGG COMPOUND 636-78-2 CAS Registry Number ChemIDplus Citations Types Sources 16028199 PubMed citation Europe PMC 18080250 PubMed citation Europe PMC 6438215 PubMed citation Europe PMC Last Modified 28 July 2014