Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)OC[C@H]1S[C@H](C[C@@H]1OC(=O)C1=CC=C(OC)C=C1)N=[N+]=[N-]
InChIKey
InChIKey=LARRUAVTSMKMJJ-IPMKNSEASA-N
Formula
C21H21N3O6S
Mass
443.47
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
Benzoic acid esters Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Thiolanes Carboxylic acid esters Azo imides Azo compounds Dialkylthioethers Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
P-methoxybenzoic acid or derivatives - Benzoate ester - Anisole - Benzoyl - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Thiolane - Azo imide - Carboxylic acid ester - Azo compound - Organoheterocyclic compound - Dialkylthioether - Carboxylic acid derivative - Ether - Thioether - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic salt - Organonitrogen compound - Organooxygen 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