Compound Identification
SMILES
COC1=C(OC)C(OC)=C(Br)C(=C1)C(C1COC(=O)C1CBr)C1=CC2=C(OCO2)C=C1Br
InChIKey
InChIKey=YJQQCZKCGOXGQT-UHFFFAOYSA-N
Formula
C22H21Br3O7
Mass
637.115
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzodioxoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodioxoles
Alternative Parents
Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Bromobenzenes Aryl bromides Gamma butyrolactones Oxolanes Carboxylic acid esters Acetals Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organobromides Alkyl bromides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Gamma butyrolactone - Benzenoid - Oxolane - Lactone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Acetal - Oxacycle - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Alkyl bromide - Organic oxygen compound - Organooxygen compound - Organobromide - Carbonyl group - Organohalogen compound - Alkyl halide - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
External Descriptors
Not available