Structure Information
Structure

Compound Identification

SMILES

OS(O)(=O)=O.OC(=O)CCC1=CC=C(C=C1)[N+]#N

InChIKey

InChIKey=NCPZQIDZGZPVJD-UHFFFAOYSA-O

Formula

C9H11N2O6S

Mass

275.25

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Phenylpropanoic acids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpropanoic acids

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

3-phenylpropanoic-acid - Sulfuric acid - Monocyclic benzene moiety - Benzenoid - Organic sulfuric acid or derivatives - Organic diazonium salt - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.

External Descriptors

Not available

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