Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(SC2=C(C=C(\C=C\C(=O)C3=CC=C(C=C3)C3=CC=CC=C3)C=C2)[N+]([O-])=O)C=C1

InChIKey

InChIKey=PKXKNAIVHQFTEG-RQZCQDPDSA-N

Formula

C28H21NO3S

Mass

451.54

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Diarylheptanoids

Subclass

Linear diarylheptanoids

Intermediate Tree Nodes

Not available

Direct Parent

Linear diarylheptanoids

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Linear 1,7-diphenylheptane skeleton - Retrochalcone - Linear 1,3-diarylpropanoid - Biphenyl - Cinnamic acid or derivatives - Diarylthioether - Nitrobenzene - Thiophenol ether - Aryl thioether - Nitroaromatic compound - Benzoyl - Aryl ketone - Styrene - Toluene - Monocyclic benzene moiety - Benzenoid - Enone - Alpha,beta-unsaturated ketone - Acryloyl-group - Organic nitro compound - Ketone - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Thioether - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.

External Descriptors

Not available

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