Compound Identification
SMILES
OC(=O)C1=C(Br)C=CC(=C1)S(O)(=O)=O
InChIKey
InChIKey=ONWAGDITKNAKCC-UHFFFAOYSA-N
Formula
C7H5BrO5S
Mass
281.08
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzenesulfonic acids and derivatives
-
Level 5
Sulfobenzoic acids
- Level 6 3-sulfobenzoic acids
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Level 5
Sulfobenzoic acids
-
Subclass
Benzenesulfonic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Sulfobenzoic acids
Direct Parent
3-sulfobenzoic acids
Alternative Parents
2-halobenzoic acids Halobenzoic acids 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Benzoic acids Benzoyl derivatives 1-carboxy-2-haloaromatic compounds Bromobenzenes Aryl bromides Sulfonyls Vinylogous halides Organosulfonic acids Organic oxides Hydrocarbon derivatives Organobromides Organooxygen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-sulfobenzoic acid - Halobenzoic acid - 2-halobenzoic acid - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Benzoic acid or derivatives - Benzoic acid - 1-sulfo,2-unsubstituted aromatic compound - Benzoyl - 1-carboxy-2-haloaromatic compound - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Vinylogous halide - Carboxylic acid - Carboxylic acid derivative - Organosulfur compound - Organic oxygen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organobromide - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3-sulfobenzoic acids. These are sulfobenzoic acid carrying the sulfonyl group at the 3-position of the benzene group.
External Descriptors
Not available