Compound Identification
SMILES
[Cl-].CC1CCCC(C)[NH+]1CCCOC(=O)C1=CC=CC=C1S
InChIKey
InChIKey=RAOMCFZAXRPCNG-UHFFFAOYSA-N
Formula
C17H26ClNO2S
Mass
343.91
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 Thiophenols Benzoyl derivatives Piperidines Amino acids and derivatives Trialkylamines Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Organic chloride salts Hydrocarbon derivatives Thiols Organic zwitterions Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - O-sulfanylbenzoic acid or derivatives - Benzoyl - Thiophenol - Piperidine - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Arylthiol - Monocarboxylic acid or derivatives - Organic zwitterion - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic salt - Organic nitrogen compound - Organic chloride salt - Aromatic heteromonocyclic 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