Structure Information
Structure

Compound Identification

SMILES

OCCOCCOC(=O)C1=CC(=CC2=C1C(=O)C1=CC=CC=C1S2)[N+]([O-])=O

InChIKey

InChIKey=LNAQTTFRTROHEK-UHFFFAOYSA-N

Formula

C18H15NO7S

Mass

389.38

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Nitrobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Nitrobenzoate - Thiochromene - 1-benzothiopyran - Benzothiopyran - Nitroaromatic compound - Heteroaromatic compound - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Dialkyl ether - Ether - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Primary alcohol - Hydrocarbon derivative - Organic zwitterion - Alcohol - Organic oxygen compound - Organic salt - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.

External Descriptors

Not available

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