Compound Identification
SMILES
CCCCCCCCC#CC\C=C/C=C/SC1=CC=CC=C1C(=O)OC
InChIKey
InChIKey=JERJJYSTRRNMPX-BGILVWQOSA-N
Formula
C23H30O2S
Mass
370.55
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 Benzoyl derivatives Aryl thioethers Vinylogous thioesters Methyl esters Thioenol ethers Sulfenyl compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoate ester - O-sulfanylbenzoic acid or derivatives - Aryl thioether - Benzoyl - Vinylogous thioester - Methyl ester - Carboxylic acid ester - Thioenolether - Carboxylic acid derivative - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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