Compound Identification
SMILES
CS(=O)C1=C(C=C(C=C1C(O)=O)C(C)(C)C)C(O)=O
InChIKey
InChIKey=MUNRVEPXGMBSBZ-UHFFFAOYSA-N
Formula
C13H16O5S
Mass
284.33
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Phthalic acid and derivatives
- Level 6 M-phthalic acid and derivatives
-
Level 5
Phthalic acid and derivatives
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
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
O-sulfanylbenzoic acids Phenylpropanes Phenyl sulfoxides Benzoic acids Benzoyl derivatives Dicarboxylic acids and derivatives Sulfoxides Sulfinyl compounds Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Meta_phthalic_acid - O-sulfanylbenzoic acid or derivatives - O-sulfanylbenzoic acid - Phenyl sulfoxide - Phenylpropane - Benzoic acid - Benzoyl - Dicarboxylic acid or derivatives - Sulfoxide - Sulfinyl compound - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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