Compound Identification
SMILES
COC(=O)C1=C(SCCCO)C=CC(=C1)S(N)(=O)=O
InChIKey
InChIKey=SYBOVEKRUUVUTO-UHFFFAOYSA-N
Formula
C11H15NO5S2
Mass
305.36
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
O-sulfanylbenzoic acids and derivatives
Alternative Parents
Benzoic acid esters Benzenesulfonamides Benzenesulfonyl compounds Thiophenol ethers Benzoyl derivatives Alkylarylthioethers Vinylogous thioesters Organosulfonamides Methyl esters Aminosulfonyl compounds Sulfenyl compounds Primary alcohols Organic oxides Organic nitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonamide - Benzoate ester - O-sulfanylbenzoic acid or derivatives - Benzenesulfonyl group - Aryl thioether - Benzoyl - Thiophenol ether - Alkylarylthioether - Organosulfonic acid amide - Vinylogous thioester - Aminosulfonyl compound - Methyl ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Thioether - Sulfenyl compound - Carboxylic acid derivative - Alcohol - Organooxygen compound - Hydrocarbon derivative - Organosulfur compound - Primary alcohol - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-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 2, respectively.
External Descriptors
Not available