Compound Identification
SMILES
COC1=CC(C(O)=O)=C(C=C1)S([O-])(=O)=O
InChIKey
InChIKey=FPINBILINHMTIJ-UHFFFAOYSA-M
Formula
C8H7O6S
Mass
231.2
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
-
Subclass
Benzenesulfonic acids and derivatives
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Level 5
Sulfobenzoic acids
- Level 6 2-sulfobenzoic acids
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Level 5
Sulfobenzoic acids
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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
2-sulfobenzoic acids
Alternative Parents
M-methoxybenzoic acids and derivatives Benzoic acids Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Sulfonyls Organosulfonic acids Carboxylic acids Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
2-sulfobenzoic acid - M-methoxybenzoic acid or derivatives - Arylsulfonic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Phenoxy compound - Methoxybenzene - Anisole - Benzoyl - Phenol ether - Alkyl aryl ether - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Ether - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic anion - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-sulfobenzoic acids. These are sulfobenzoic acid carrying the sulfonyl group at the 2-position of the benzene group.
External Descriptors
Not available