Compound Identification
SMILES
NS(=O)(=O)C1=CC(C(O)=O)=C(SCCCO)C=C1
InChIKey
InChIKey=KMDSAQWFHHZZKI-UHFFFAOYSA-N
Formula
C10H13NO5S2
Mass
291.34
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Sulfanylbenzoic acids and derivatives
-
Level 6
O-sulfanylbenzoic acids and derivatives
- Level 7 O-sulfanylbenzoic acids
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Level 6
O-sulfanylbenzoic acids and derivatives
-
Level 5
Sulfanylbenzoic acids and derivatives
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Sulfanylbenzoic acids and derivatives - O-sulfanylbenzoic acids and derivatives
Direct Parent
O-sulfanylbenzoic acids
Alternative Parents
Benzenesulfonamides Benzenesulfonyl compounds Benzoic acids Thiophenol ethers Benzoyl derivatives Alkylarylthioethers Vinylogous thioesters Organosulfonamides Aminosulfonyl compounds Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organic nitrogen compounds Primary alcohols Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonamide - O-sulfanylbenzoic acid - Benzoic acid - Benzenesulfonyl group - Aryl thioether - Benzoyl - Thiophenol ether - Alkylarylthioether - Organosulfonic acid amide - Vinylogous thioester - Sulfonyl - Aminosulfonyl compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfenyl compound - Thioether - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - 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. These are benzoic acids which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 2, respectively.
External Descriptors
Not available