Compound Identification
SMILES
COC(=O)C1=C(SC)C=C(C2=C1CCSC2)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=XRXOMAQMDDKLES-UHFFFAOYSA-N
Formula
C18H17ClO2S2
Mass
364.9
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
Isothiochromanes 2-benzothiopyrans Thiophenol ethers Chlorobenzenes Alkylarylthioethers Vinylogous thioesters Aryl chlorides Methyl esters Sulfenyl compounds Dialkylthioethers Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isothiochromane - O-sulfanylbenzoic acid or derivatives - 2-benzothiopyran - Benzothiopyran - Aryl thioether - Thiophenol ether - Chlorobenzene - Alkylarylthioether - Halobenzene - Aryl chloride - Aryl halide - Vinylogous thioester - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Thioether - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic 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