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-N
Formula
C16H17NO6S
Mass
351.37
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 Carboxylic acid salts Azacyclic compounds Dialkylthioethers Carboxylic acids Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts 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 - Carboxylic acid salt - Lactam - Thioether - Organoheterocyclic compound - Azacycle - Dialkylthioether - Carboxylic acid derivative - Carboxylic acid - Ether - Organic salt - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Organic oxide - 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