Compound Identification
SMILES
CSC1=CC=CC(C(=O)OC2CCO2)=C1S(=O)(=O)N=C=O
InChIKey
InChIKey=GSZQNIPEDXREAG-UHFFFAOYSA-N
Formula
C12H11NO6S2
Mass
329.34
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Sulfanylbenzoic acids and derivatives
Direct Parent
M-sulfanylbenzoic acids and derivatives
Alternative Parents
Benzenesulfonamides Benzoic acid esters Benzenesulfonyl compounds Thiophenol ethers Benzoyl derivatives Sulfonyl isocyanates Alkylarylthioethers Organosulfonic acids and derivatives Carboxylic acid esters Oxetanes Monocarboxylic acids and derivatives Acetals Oxacyclic compounds Sulfenyl compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonamide - Benzoate ester - M-sulfanylbenzoic acid or derivatives - Benzenesulfonyl group - Aryl thioether - Benzoyl - Thiophenol ether - Sulfonyl isocyanate - Alkylarylthioether - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carboxylic acid ester - Oxetane - Organoheterocyclic compound - Oxacycle - Sulfenyl compound - Thioether - Carboxylic acid derivative - Acetal - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organooxygen compound - Organosulfur compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as m-sulfanylbenzoic acids and derivatives. These are benzoic acids (or derivatives) which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 3, respectively.
External Descriptors
Not available