Compound Identification
SMILES
COC1=CC(=CC(OC)=C1Br)C(=O)OCC(=O)C1=CC=C(CNC(C)=O)S1
InChIKey
InChIKey=NOIRCGHGXIEENK-UHFFFAOYSA-N
Formula
C18H18BrNO6S
Mass
456.31
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
4-halobenzoic acids and derivatives Benzoic acid esters Dimethoxybenzenes Phenoxy compounds Anisoles Aryl alkyl ketones Benzoyl derivatives 2,5-disubstituted thiophenes Alkyl aryl ethers Bromobenzenes Aryl bromides Acetamides Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
M-methoxybenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoate ester - Dimethoxybenzene - M-dimethoxybenzene - Benzoyl - Phenol ether - Phenoxy compound - Anisole - Aryl ketone - Aryl alkyl ketone - Methoxybenzene - 2,5-disubstituted thiophene - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Thiophene - Acetamide - Heteroaromatic compound - Carboxylic acid ester - Secondary carboxylic acid amide - Ketone - Carboxamide group - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organobromide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic heteromonocyclic 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