Compound Identification
SMILES
COC1=C(OC)C(=CC(=C1)S(O)(=O)=O)C(O)=O
InChIKey
InChIKey=ARYSOZFIGZXBFU-UHFFFAOYSA-N
Formula
C9H10O7S
Mass
262.23
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
Sulfosalicylic acids and derivatives O-methoxybenzoic acids and derivatives M-methoxybenzoic acids and derivatives Dimethoxybenzenes 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Benzoic acids Phenoxy compounds Anisoles Benzoyl derivatives Alkyl aryl ethers Sulfonyls Organosulfonic acids Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-sulfobenzoic acid - Sulfosalicylic acid or derivatives - M-methoxybenzoic acid or derivatives - O-methoxybenzoic acid or derivatives - O-dimethoxybenzene - Dimethoxybenzene - Arylsulfonic acid or derivatives - Benzoic acid or derivatives - Benzenesulfonyl group - Benzoic acid - 1-sulfo,2-unsubstituted aromatic compound - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Ether - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic oxygen 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