Compound Identification
SMILES
CC(OC(C)=O)C(=O)NCC1=CC=C(C=C1)C1OC(CSC2=CC=C(C=C2)C(O)=O)C(C)C(O1)C1=CC=C(CO)C=C1
InChIKey
InChIKey=GNLHQKRWHUXVHX-UHFFFAOYSA-N
Formula
C32H35NO8S
Mass
593.69
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
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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
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Level 5
Sulfanylbenzoic acids and derivatives
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Subclass
Benzoic acids and derivatives
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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 Thiophenol ethers Benzyl alcohols Benzoyl derivatives Hydroxy fatty acids Heterocyclic fatty acids Branched fatty acids Alkylarylthioethers Unsaturated fatty acids Dicarboxylic acids and derivatives 1,3-dioxanes Thioenol ethers Carboxylic acid esters Sulfenyl compounds Oxacyclic compounds Carboxylic acids Carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
P-sulfanylbenzoic acid - Benzoic acid - Aryl thioether - Thiophenol ether - Benzyl alcohol - Benzoyl - Alkylarylthioether - Hydroxy fatty acid - Heterocyclic fatty acid - Branched fatty acid - Fatty acyl - Fatty acid - Unsaturated fatty acid - Dicarboxylic acid or derivatives - Meta-dioxane - Thioenolether - Carboxylic acid ester - Carboxamide group - Oxacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteromonocyclic 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