Compound Identification
SMILES
OC(=O)C1=CC=CC=C1S(=O)CC1=CC=C(Br)C=C1
InChIKey
InChIKey=XWPQKVUKUDQUFS-UHFFFAOYSA-N
Formula
C14H11BrO3S
Mass
339.2
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
-
Level 6
O-sulfanylbenzoic acids and derivatives
- Level 7 O-sulfanylbenzoic acids
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Level 6
O-sulfanylbenzoic acids and derivatives
-
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 - O-sulfanylbenzoic acids and derivatives
Direct Parent
O-sulfanylbenzoic acids
Alternative Parents
Benzyl sulfoxides Phenyl sulfoxides Benzoic acids Benzoyl derivatives Bromobenzenes Aryl bromides Sulfoxides Sulfinyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzyl sulfoxide - O-sulfanylbenzoic acid - Phenyl sulfoxide - Benzoic acid - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Sulfoxide - Sulfinyl compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organobromide - Hydrocarbon derivative - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-sulfanylbenzoic acids. These are benzoic acids which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 2, respectively.
External Descriptors
Not available