Compound Identification
SMILES
OCCC(O)COC(=O)C1=CC=CC(C(O)=O)=C1S(O)(=O)=O
InChIKey
InChIKey=HMXIMSAHIPRSLT-UHFFFAOYSA-N
Formula
C12H14O9S
Mass
334.3
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 2-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
2-sulfobenzoic acids
Alternative Parents
m-Phthalate esters M-phthalic acid and derivatives Benzoic acid esters Benzoic acids Benzenesulfonyl compounds Arylsulfonic acids and derivatives Benzoyl derivatives Sulfonyls Organosulfonic acids Secondary alcohols Carboxylic acid esters Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
2-sulfobenzoic acid - Phthalate ester - Meta-phthalic acid ester - Meta_phthalic_acid - Benzoate ester - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Primary alcohol - 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