1.0
2019-10-15 19:52:08 UTC
2019-10-15 19:52:08 UTC
FDB093602
2,4-Dihydroxybenzoic acid 4-sulfate
C7H6O7S
234.18
233.983423707
OC(=O)C1=C(O)C=C(OS(O)(=O)=O)C=C1
InChI=1S/C7H6O7S/c8-6-3-4(14-15(11,12)13)1-2-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13)
DRJRXXDGTMEQKU-UHFFFAOYSA-N
belongs to the class of organic compounds known as phenylsulfates. Phenylsulfates are compounds containing a sulfuric acid group conjugated to a phenyl group.
Phenylsulfates
Organic compounds
Organic acids and derivatives
Organic sulfuric acids and derivatives
Arylsulfates
Aromatic homomonocyclic compounds
1-hydroxy-2-unsubstituted benzenoids
1-hydroxy-4-unsubstituted benzenoids
Benzoic acids
Benzoyl derivatives
Carboxylic acids
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Organooxygen compounds
Phenoxy compounds
Salicylic acids
Sulfuric acid monoesters
Vinylogous acids
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Aromatic homomonocyclic compound
Benzenoid
Benzoic acid
Benzoic acid or derivatives
Benzoyl
Carboxylic acid
Carboxylic acid derivative
Hydrocarbon derivative
Hydroxybenzoic acid
Monocarboxylic acid or derivatives
Monocyclic benzene moiety
Organic oxide
Organic oxygen compound
Organooxygen compound
Phenol
Phenoxy compound
Phenylsulfate
Salicylic acid
Salicylic acid or derivatives
Sulfate-ester
Sulfuric acid ester
Sulfuric acid monoester
Vinylogous acid
average_mass
234.18
mono_mass
233.983423707
smiles
OC(=O)C1=C(O)C=C(OS(O)(=O)=O)C=C1
formula
C7H6O7S
inchi
InChI=1S/C7H6O7S/c8-6-3-4(14-15(11,12)13)1-2-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13)
inchikey
DRJRXXDGTMEQKU-UHFFFAOYSA-N
FOBI:08674