Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N=S(C)C1=CC=CC(=C1)C([O-])=O
InChIKey
InChIKey=AMEFRYLURVIIQJ-UHFFFAOYSA-M
Formula
C15H14NO4S2
Mass
336.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Sulfanylbenzoic acids and derivatives
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Level 6
M-sulfanylbenzoic acids and derivatives
- Level 7 M-sulfanylbenzoic acids
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Level 6
M-sulfanylbenzoic acids and derivatives
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Level 5
Sulfanylbenzoic acids 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
Sulfanylbenzoic acids and derivatives - M-sulfanylbenzoic acids and derivatives
Direct Parent
M-sulfanylbenzoic acids
Alternative Parents
Tosyl compounds Benzenesulfonamides Benzoic acids Benzenesulfonyl compounds Benzoyl derivatives Sulfonyls Organosulfonic acids and derivatives Carboxylic acid salts Carboxylic acids Organooxygen compounds Organic oxides Organic nitrogen compounds Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonamide - M-sulfanylbenzoic acid - Tosyl compound - Benzoic acid - Benzenesulfonyl group - Benzoyl - Toluene - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Carboxylic acid salt - Carboxylic acid - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic anion - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as m-sulfanylbenzoic acids. These are benzoic acids which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 3, respectively.
External Descriptors
Not available