Compound Identification
SMILES
CC1=C(C)C(=CC=C1)S(=O)C1=CC=CC=C1C(O)=O
InChIKey
InChIKey=CHHBQQQWWQPBNM-UHFFFAOYSA-N
Formula
C15H14O3S
Mass
274.33
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
Phenyl sulfoxides Benzoic acids o-Xylenes Benzoyl derivatives Sulfoxides Sulfinyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
O-sulfanylbenzoic acid - Phenyl sulfoxide - Benzoic acid - Benzoyl - O-xylene - Xylene - Sulfoxide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Sulfinyl compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Organosulfur 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