Compound Identification
SMILES
COC1=CC(O)=C(C=C1)C(=O)OCC1=COC(=N1)C1=CC=CS1
InChIKey
InChIKey=UAMLKSRUGQKWFW-UHFFFAOYSA-N
Formula
C16H13NO5S
Mass
331.34
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
o-Hydroxybenzoic acid esters Methoxyphenols Salicylic acid and derivatives Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds 2,4-disubstituted oxazoles 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Vinylogous acids Heteroaromatic compounds Thiophenes Carboxylic acid esters Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-hydroxybenzoic acid ester - P-methoxybenzoic acid or derivatives - Benzoate ester - Methoxyphenol - Salicylic acid or derivatives - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - 2,4-disubstituted 1,3-oxazole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Azole - Heteroaromatic compound - Oxazole - Vinylogous acid - Thiophene - Carboxylic acid ester - Oxacycle - Ether - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen 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