Compound Identification
SMILES
OC(=O)C1=CC(Br)=CC(SSC2=C(O)C(=CC(Br)=C2)C(O)=O)=C1O
InChIKey
InChIKey=GKQXDQUJKZJORV-UHFFFAOYSA-N
Formula
C14H8Br2O6S2
Mass
496.14
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
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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
3-halobenzoic acids Salicylic acids Halobenzoic acids Benzoic acids P-bromophenols Benzoyl derivatives Bromobenzenes Aryl bromides Vinylogous acids Organic disulfides Carboxylic acids Sulfenyl compounds Hydrocarbon derivatives Organobromides Organooxygen compounds Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
M-sulfanylbenzoic acid - Hydroxybenzoic acid - Salicylic acid or derivatives - Salicylic acid - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid - Halobenzoic acid - Benzoic acid - 4-halophenol - 4-bromophenol - Benzoyl - Halobenzene - Bromobenzene - Phenol - Aryl halide - Aryl bromide - Vinylogous acid - Organic disulfide - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Organic oxide - Organic oxygen compound - Organosulfur compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - 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