Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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