Compound Identification
SMILES
OCC1=CC=C(C=C1)C1CC(CSC2=CC=CC=C2C(O)=O)OC(O1)C1=CC=C(NC(=O)CCCCC(O)=O)C=C1
InChIKey
InChIKey=FPZJTVVSBFQRIL-UHFFFAOYSA-N
Formula
C31H33NO8S
Mass
579.66
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
Anilides Benzoic acids Thiophenol ethers Benzoyl derivatives Benzyl alcohols Medium-chain fatty acids N-arylamides Alkylarylthioethers Heterocyclic fatty acids Hydroxy fatty acids 1,3-dioxanes Fatty amides Dicarboxylic acids and derivatives Vinylogous thioesters Secondary carboxylic acid amides Acetals Carboxylic acids Sulfenyl compounds Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Primary alcohols Aromatic alcohols Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-sulfanylbenzoic acid - Anilide - Benzoic acid - Thiophenol ether - Medium-chain fatty acid - N-arylamide - Aryl thioether - Benzyl alcohol - Benzoyl - Heterocyclic fatty acid - Hydroxy fatty acid - Alkylarylthioether - Fatty acyl - Fatty acid - Vinylogous thioester - Fatty amide - Dicarboxylic acid or derivatives - Meta-dioxane - Carboxamide group - Secondary carboxylic acid amide - Thioether - Acetal - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Sulfenyl compound - Organoheterocyclic compound - Primary alcohol - Aromatic alcohol - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Alcohol - Organosulfur compound - 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