Compound Identification
SMILES
OC(=O)C(SC1=CC=C(C=C1)C(O)=O)\C=C/CC1=CC=C(OCCCCOC2=CC=CC=C2)C=C1
InChIKey
InChIKey=SEDXWSAQFRRHEG-POHAHGRESA-N
Formula
C28H28O6S
Mass
492.59
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
-
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 Phenoxy compounds Phenol ethers Medium-chain fatty acids Benzoyl derivatives Alkylarylthioethers Alkyl aryl ethers Unsaturated fatty acids Dicarboxylic acids and derivatives Sulfenyl compounds Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
P-sulfanylbenzoic acid - Benzoic acid - Phenoxy compound - Aryl thioether - Benzoyl - Medium-chain fatty acid - Thiophenol ether - Phenol ether - Alkyl aryl ether - Alkylarylthioether - Fatty acyl - Fatty acid - Dicarboxylic acid or derivatives - Unsaturated fatty acid - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Ether - Thioether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Carbonyl group - 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