Structure Information
Structure

Compound Identification

SMILES

CC[C@](O)([C@H](C)C(=O)SC1=CC=C(C=C1)[N+]([O-])=O)C1=CC=CC=C1

InChIKey

InChIKey=MABSYEYYFVGRLF-ACJLOTCBSA-N

Formula

C18H19NO4S

Mass

345.41

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Nitrobenzenes

Intermediate Tree Nodes

Not available

Direct Parent

Nitrobenzenes

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Thiophenol ester - Phenylpropane - Nitrobenzene - Nitroaromatic compound - Aryl thioether - Fatty acyl thioester - Tertiary alcohol - C-nitro compound - Organic nitro compound - Carbothioic s-ester - Thiocarboxylic acid ester - Thiocarboxylic acid or derivatives - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboxylic acid derivative - Alcohol - Aromatic alcohol - Organic zwitterion - Organic salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.

External Descriptors

Not available

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