Compound Identification
SMILES
CC1(C)S[C@@H]2CC(=O)[N+]2(OC(=O)COC2=CC=CC=C2)[C@H]1C(O)=O
InChIKey
InChIKey=XHWKMSOBZGDARX-KMMYHCRNSA-O
Formula
C16H18NO6S
Mass
352.38
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenoxyacetic acid derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenoxyacetic acid derivatives
Alternative Parents
Alpha amino acids and derivatives Phenoxy compounds Phenol ethers Penams Alkyl aryl ethers Dicarboxylic acids and derivatives Thiazolidines Azetidines Azacyclic compounds Dialkylthioethers Carboxylic acids Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxyacetate - Alpha-amino acid or derivatives - Phenoxy compound - Penam - Phenol ether - Alkyl aryl ether - Dicarboxylic acid or derivatives - Beta-lactam - Thiazolidine - Azetidine - Lactam - Carboxylic acid derivative - Carboxylic acid - Azacycle - Ether - Organoheterocyclic compound - Dialkylthioether - Thioether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
External Descriptors
Not available