Compound Identification
SMILES
O[C@@H](CCCC(O)=O)[C@H](SC1=CC=C(C=C1)C(O)=O)\C=C/C1=CC(OCCCCOC2=CC=CC=C2)=CC=C1
InChIKey
InChIKey=DRQJROYISUUSTC-UPWSPJBQSA-N
Formula
C31H34O7S
Mass
550.67
Taxonomic Classification
Taxonomy Tree
-
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
-
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 Thiophenol ethers Styrenes Phenoxy compounds Phenol ethers Medium-chain fatty acids Benzoyl derivatives Thia fatty acids Alkyl aryl ethers Alkylarylthioethers Hydroxy fatty acids Unsaturated fatty acids Dicarboxylic acids and derivatives Secondary alcohols Sulfenyl compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
P-sulfanylbenzoic acid - Benzoic acid - Phenoxy compound - Aryl thioether - Benzoyl - Phenol ether - Styrene - Thiophenol ether - Medium-chain fatty acid - Alkyl aryl ether - Thia fatty acid - Hydroxy fatty acid - Alkylarylthioether - Fatty acyl - Unsaturated fatty acid - Fatty acid - Dicarboxylic acid or derivatives - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Ether - Thioether - Organic oxygen compound - Alcohol - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organosulfur 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