Compound Identification
SMILES
OC(=O)c1ccc(SC2=C(O)CC(CC2=O)c2ccccc2)cc1
InChIKey
InChIKey=XYUSVKAMOFRFRF-UHFFFAOYSA-N
Formula
C19H16O4S
Mass
340.39
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
P-sulfanylbenzoic acids and derivatives
- Level 7 P-sulfanylbenzoic acids
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Level 6
P-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 - P-sulfanylbenzoic acids and derivatives
Direct Parent
P-sulfanylbenzoic acids
Alternative Parents
Benzoic acids Benzoyl derivatives Aryl thioethers Cyclohexenones Vinylogous acids Thioenol ethers Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
P-sulfanylbenzoic acid - Benzoic acid - Aryl thioether - Benzoyl - Cyclohexenone - Vinylogous acid - Ketone - Cyclic ketone - Thioenolether - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Sulfenyl compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Organosulfur compound - Carbonyl group - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-sulfanylbenzoic acids. These are benzoic acids which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 4, respectively.
External Descriptors
Not available