Compound Identification
SMILES
COC1=CC=CC=C1C1=NN=C(O1)SCC#CCOC(=O)C1=CC(OC)=C(OC)C=C1
InChIKey
InChIKey=XNKNWZRSSBYKNU-UHFFFAOYSA-N
Formula
C22H20N2O6S
Mass
440.47
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
P-methoxybenzoic acids and derivatives
Alternative Parents
M-methoxybenzoic acids and derivatives Benzoic acid esters Dimethoxybenzenes Phenoxy compounds Anisoles Benzoyl derivatives Alkyl aryl ethers Alkylarylthioethers 1,3,4-oxadiazoles Heteroaromatic compounds Carboxylic acid esters Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
P-methoxybenzoic acid or derivatives - M-methoxybenzoic acid or derivatives - Dimethoxybenzene - O-dimethoxybenzene - Benzoate ester - Phenol ether - Phenoxy compound - Aryl thioether - Methoxybenzene - Benzoyl - Anisole - Alkyl aryl ether - Alkylarylthioether - Oxadiazole - 1,3,4-oxadiazole - Heteroaromatic compound - Azole - Carboxylic acid ester - Sulfenyl compound - Organoheterocyclic compound - Thioether - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Ether - Organosulfur compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 4 of the benzene ring is replaced by a methoxy group.
External Descriptors
Not available