Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)C1=CC(C(O)=O)=C(S)C(=C1)C(O)=O

InChIKey

InChIKey=LGVWGMJGWYOENS-UHFFFAOYSA-N

Formula

C12H14O4S

Mass

254.3

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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

Phthalic acid and derivatives

Direct Parent

M-phthalic acid and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Meta_phthalic_acid - O-sulfanylbenzoic acid - O-sulfanylbenzoic acid or derivatives - Benzoic acid - Phenylpropane - Benzoyl - Thiophenol - Dicarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Arylthiol - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organosulfur compound - Organooxygen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as m-phthalic acid and derivatives. These are aromatic compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 2.

External Descriptors

Not available

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