Compound Identification
SMILES
CCCN(CCC)OS(=O)C1=CC=C(C=C1)C(=O)SCC
InChIKey
InChIKey=CNWURIGAWIKNJE-UHFFFAOYSA-N
Formula
C15H23NO3S2
Mass
329.47
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
P-sulfanylbenzoic acids and derivatives
Alternative Parents
Thiobenzoic acids and derivatives Benzoyl derivatives Thioesters Sulfinic acids and derivatives Carbothioic S-esters Sulfenyl compounds Carboxylic acids and derivatives Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
P-sulfanylbenzoic acid or derivatives - Thiobenzoic acid or derivatives - Benzoyl - Carbothioic s-ester - Thiocarboxylic acid ester - Sulfinic acid derivative - Sulfenyl compound - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-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 4, respectively.
External Descriptors
Not available