Compound Identification
SMILES
COC1=C(OS(=O)(=O)C2=CC=C(C)C=C2)C(C(O)=O)=C(Br)C=C1
InChIKey
InChIKey=HXZPTSMFAYWDCG-UHFFFAOYSA-N
Formula
C15H13BrO6S
Mass
401.23
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
p-Methylbenzenesulfonates Benzenesulfonate esters 2-halobenzoic acids Tosyl compounds Halobenzoic acids Arylsulfonic acids and derivatives Benzenesulfonyl compounds Benzoic acids Methoxybenzenes Phenoxy compounds Benzoyl derivatives 1-carboxy-2-haloaromatic compounds Anisoles Bromobenzenes Alkyl aryl ethers Aryl bromides Organosulfonic acid esters Vinylogous halides Sulfonyls Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
M-methoxybenzoic acid or derivatives - Benzenesulfonate ester - P-methylbenzenesulfonate - Benzenesulfonate - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Tosyl compound - Halobenzoic acid - 2-halobenzoic acid - Benzoic acid - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Benzoyl - Anisole - 1-carboxy-2-haloaromatic compound - Methoxybenzene - Halobenzene - Toluene - Bromobenzene - Alkyl aryl ether - Organosulfonic acid ester - Aryl bromide - Aryl halide - Vinylogous halide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organobromide - Organohalogen 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