Compound Identification
SMILES
OC(=O)C1=CC=C(NCCCCCCCCCCCSC2=CC=C(C=C2)C(O)=O)C=C1
InChIKey
InChIKey=CYOGWQVCDGDMQJ-UHFFFAOYSA-N
Formula
C25H33NO4S
Mass
443.6
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
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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
Aminobenzoic acids Benzoic acids Thiophenol ethers Aniline and substituted anilines Benzoyl derivatives Phenylalkylamines Alkylarylthioethers Secondary alkylarylamines Dicarboxylic acids and derivatives Amino acids Carboxylic acids Sulfenyl compounds Organic oxides Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aminobenzoic acid - Aminobenzoic acid or derivatives - P-sulfanylbenzoic acid - Benzoic acid - Aryl thioether - Benzoyl - Thiophenol ether - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Alkylarylthioether - Dicarboxylic acid or derivatives - Amino acid or derivatives - Amino acid - Sulfenyl compound - Carboxylic acid - Carboxylic acid derivative - Secondary amine - Thioether - Amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - 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