Compound Identification
SMILES
N.OC(=O)C1=C(C(O)=O)C(=CC=C1)S(O)(=O)=O
InChIKey
InChIKey=JPHSPXLEYNHBAV-UHFFFAOYSA-N
Formula
C8H9NO7S
Mass
263.22
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
-
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-sulfobenzoic acids Benzoic acids Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Benzoyl derivatives Sulfonyls Organosulfonic acids Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
2-sulfobenzoic acid - 3-sulfobenzoic acid - Arylsulfonic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Benzoyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Carboxylic acid - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - 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