Compound Identification
SMILES
OC(=O)CCCC(SC1=CC=C(C=C1)C(O)=O)\C=C/CC1=CC=C(OCCCCOC2=CC=CC=C2)C=C1
InChIKey
InChIKey=FHPLTGVNUCDXFT-WDZFZDKYSA-N
Formula
C31H34O6S
Mass
534.67
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
-
Level 6
P-sulfanylbenzoic acids and derivatives
- Level 7 P-sulfanylbenzoic acids
-
Level 6
P-sulfanylbenzoic acids and derivatives
-
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 Phenoxy compounds Phenol ethers Medium-chain fatty acids Benzoyl derivatives Thia fatty acids Alkyl aryl ethers Alkylarylthioethers Unsaturated fatty acids Dicarboxylic acids and derivatives Sulfenyl compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
P-sulfanylbenzoic acid - Benzoic acid - Phenoxy compound - Aryl thioether - Benzoyl - Phenol ether - Thiophenol ether - Medium-chain fatty acid - Alkyl aryl ether - Thia fatty acid - Alkylarylthioether - Unsaturated fatty acid - Fatty acyl - Dicarboxylic acid or derivatives - Fatty acid - Thioether - Ether - Carboxylic acid - Carboxylic acid derivative - Sulfenyl compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Organic oxide - Organic oxygen 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