Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(C(=O)C=CC1=CC=CC=C1[N+]([O-])=O)=C1SCCS1

InChIKey

InChIKey=RUDUCQCCBQGKJI-UHFFFAOYSA-N

Formula

C14H11NO5S2

Mass

337.36

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Cinnamic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Cinnamic acid or derivatives - Medium-chain keto acid - Nitrobenzene - Nitroaromatic compound - Styrene - Beta-keto acid - Heterocyclic fatty acid - Monocyclic benzene moiety - Beta-hydroxy ketone - Vinylogous thioester - Fatty acyl - Keto acid - Unsaturated fatty acid - Benzenoid - Acryloyl-group - Dithiolane - Enone - Alpha,beta-unsaturated ketone - 1,3-dithiolane - Organic nitro compound - Ketene acetal or derivatives - Ketone - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Organic oxoazanium - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic salt - Organic oxide - Organic oxygen compound - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.

External Descriptors

Not available

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