Compound Identification
SMILES
OC(=O)C1=CC(=CC(=C1)S(=O)(=O)C(F)(F)F)S(=O)CC1=CC(Br)=CC=C1
InChIKey
InChIKey=VUQDTIIMLQLBIX-UHFFFAOYSA-N
Formula
C15H10BrF3O5S2
Mass
471.26
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
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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
Benzyl sulfoxides Benzenesulfonyl compounds Benzoic acids Phenyl sulfoxides Benzoyl derivatives Bromobenzenes Aryl bromides Sulfones Sulfoxides Trihalomethanes Carboxylic acids Sulfinyl compounds Organooxygen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzyl sulfoxide - M-sulfanylbenzoic acid - Phenyl sulfoxide - Benzenesulfonyl group - Benzoic acid - Benzoyl - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Sulfonyl - Sulfone - Sulfoxide - Trihalomethane - Sulfinyl compound - Carboxylic acid derivative - Carboxylic acid - Alkyl fluoride - Organohalogen compound - Organobromide - Organofluoride - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Halomethane - Organic oxide - Organic oxygen compound - Alkyl halide - 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