Compound Identification
SMILES
C[N+]1(C)CCC(C1)OC(=O)C(O)(C1=CC=CS1)C1=CC=CC=C1
InChIKey
InChIKey=IGWCFPFGZULDHY-UHFFFAOYSA-N
Formula
C18H22NO3S
Mass
332.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzene and substituted derivatives
Alternative Parents
N-alkylpyrrolidines Thiophenes Tetraalkylammonium salts Tertiary alcohols Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organic salts Hydrocarbon derivatives Organopnictogen compounds Amines Carbonyl compounds Aromatic alcohols Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Monocyclic benzene moiety - N-alkylpyrrolidine - Pyrrolidine - Quaternary ammonium salt - Tertiary alcohol - Tetraalkylammonium salt - Thiophene - Heteroaromatic compound - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organic salt - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic alcohol - Alcohol - Carbonyl group - Organic nitrogen compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
External Descriptors
Not available