Compound Identification
SMILES
CS(=O)C1=C(C=C(C=C1)C(F)(F)F)C(O)=O
InChIKey
InChIKey=ZNCDFZLBNYSJKX-UHFFFAOYSA-N
Formula
C9H7F3O3S
Mass
252.21
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
Trifluoromethylbenzenes Phenyl sulfoxides Benzoic acids Benzoyl derivatives Sulfoxides Sulfinyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Trifluoromethylbenzene - O-sulfanylbenzoic acid - Phenyl sulfoxide - Benzoic acid - Benzoyl - Sulfoxide - Carboxylic acid derivative - Sulfinyl compound - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl fluoride - Organohalogen compound - Organofluoride - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - 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