Compound Identification
SMILES
[Na+].[Na+].OS(=O)(=O)C1=CC(=CC(=C1)C([O-])=O)C([O-])=O
InChIKey
InChIKey=PDSHIGQYIXZKRO-UHFFFAOYSA-L
Formula
C8H4Na2O7S
Mass
290.15
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
M-phthalic acid and derivatives Benzoic acids Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Benzoyl derivatives Sulfonyls Organosulfonic acids Carboxylic acid salts Carboxylic acids Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-sulfobenzoic acid - Meta_phthalic_acid - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Benzoic acid or derivatives - Benzoic acid - 1-sulfo,2-unsubstituted aromatic compound - Benzoyl - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid salt - Organic alkali metal salt - Carboxylic acid derivative - Carboxylic acid - Organic oxide - Organic salt - Organic sodium salt - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic cation - 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