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
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
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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 Benzoic acids Thiophenols Benzoyl derivatives Dicarboxylic acids and derivatives Carboxylic acids Thiols Organooxygen compounds Organic oxides Hydrocarbon derivatives
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