Compound Identification
SMILES
CCCCCCCC1=CC=C(CC=C[C@@H](SCC2=C(OC)C=C(C=C2)C(O)=O)[C@@H](O)CCCC(O)=O)C=C1
InChIKey
InChIKey=FDJAQZAHMLOHQY-LMSSTIIKSA-N
Formula
C31H42O6S
Mass
542.73
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Methoxybenzoic acids and derivatives
Direct Parent
M-methoxybenzoic acids and derivatives
Alternative Parents
Benzoic acids Anisoles Benzoyl derivatives Medium-chain fatty acids Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Thia fatty acids Hydroxy fatty acids Dicarboxylic acids and derivatives Unsaturated fatty acids Secondary alcohols Dialkylthioethers Carboxylic acids Sulfenyl compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
M-methoxybenzoic acid or derivatives - Benzoic acid - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Medium-chain fatty acid - Phenol ether - Alkyl aryl ether - Hydroxy fatty acid - Thia fatty acid - Fatty acyl - Fatty acid - Dicarboxylic acid or derivatives - Unsaturated fatty acid - Secondary alcohol - Dialkylthioether - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Ether - Thioether - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Alcohol - Organosulfur compound - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as m-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 3 of the benzene ring is replaced by a methoxy group.
External Descriptors
Not available