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4-sulfobenzoate

Properties

Image

Occurences in reactions

MNX_ID

MNXM2088

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₇H₄O₅S

charge

-2

mass

200.16966

reference

InChIKey

HWAQOZGATRIYQG-UHFFFAOYSA-L

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)/p-2

SMILES

[O-]C(=O)c1ccc(cc1)S([O-])(=O)=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:20476 chebi:20476	4-sulfobenzoate (-)O3S-C6H4-COO(-) 4-sulfonatobenzoate 4-sulfonatobenzoate(2-) 4-sulphonatobenzoate
envipath:...c573cd98c66f envipathM:...c573cd98c66f	4-Sulfobenzoate
kegg.compound:C02236 keggC:C02236	4-Sulfobenzoate 4-Sulfobenzoic acid
seed.compound:cpd01511 seedM:cpd01511	4-Sulfobenzoate 4-Sulfobenzoic acid 4-sulfobenzoate
metacyc.compound:CPD-257 metacycM:CPD-257	4-sulfobenzoate
CHEBI:16309 chebi:16309	4-sulfobenzoate(1-) 4-sulfobenzoate 4-sulphobenzoate HO3S-C6H4-COO(-)
CHEBI:30789 chebi:30789	4-sulfobenzoic acid 4-Sulfobenzoic acid 4-sulphobenzoic acid HO3S-C6H4-COOH p-sulfobenzoic acid para-sulfobenzoic acid
chebi:12045 chebi:1936 chebi:20477 keggC:M_C02236 seedM:M_cpd01511	secondary/obsolete/fantasy identifier