Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=C(C=C(SSC2=CC(C(=O)N3CCOCC3)=C(C=C2)[N+]([O-])=O)C=C1)C(=O)N1CCOCC1

InChIKey

InChIKey=XWLHCDDVGFUPHF-UHFFFAOYSA-N

Formula

C22H22N4O8S2

Mass

534.56

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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

Sulfanylbenzoic acids and derivatives

Direct Parent

M-sulfanylbenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

M-sulfanylbenzoic acid or derivatives - Benzamide - Morpholine-4-carboxylic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Morpholine - Oxazinane - Tertiary carboxylic acid amide - Organic nitro compound - Carboxamide group - C-nitro compound - Organic disulfide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Organic 1,3-dipolar compound - Oxacycle - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic salt - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as m-sulfanylbenzoic acids and derivatives. These are benzoic acids (or derivatives) which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 3, respectively.

External Descriptors

Not available

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