Compound Identification
SMILES
OCC1=CC=C(C=C1)C1CC(CSC2=CC=CC=C2C(O)=O)OC(O1)C1=CC=C(CNC(=O)CCCC(=O)NO)C=C1
InChIKey
InChIKey=OFZRYRJUSCTHTR-UHFFFAOYSA-N
Formula
C31H34N2O8S
Mass
594.68
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
O-sulfanylbenzoic acids and derivatives
- Level 7 O-sulfanylbenzoic acids
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Level 6
O-sulfanylbenzoic acids and derivatives
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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
Benzoic acids Thiophenol ethers Benzoyl derivatives Benzyl alcohols Alkylarylthioethers Vinylogous thioesters 1,3-dioxanes N-acyl amines Secondary carboxylic acid amides Hydroxamic acids Sulfenyl compounds Acetals Oxacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organonitrogen compounds Organopnictogen compounds Carbonyl compounds Aromatic alcohols Hydrocarbon derivatives Organic oxides Primary alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-sulfanylbenzoic acid - Benzoic acid - Aryl thioether - Benzoyl - Benzyl alcohol - Thiophenol ether - Alkylarylthioether - Meta-dioxane - Fatty amide - Vinylogous thioester - Fatty acyl - N-acyl-amine - Carboxamide group - Hydroxamic acid - Secondary carboxylic acid amide - Acetal - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Sulfenyl compound - Monocarboxylic acid or derivatives - Thioether - Organic oxygen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Aromatic alcohol - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary alcohol - Carbonyl group - Aromatic heteromonocyclic 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