Compound Identification
SMILES
CCOC(=C)C1=C[C@@]2(Br)[C@H](C[C@@H]1OC2=O)C1=CC=CC=C1Br
InChIKey
InChIKey=HHBLOCCOYDALAB-UKPHBRMFSA-N
Formula
C17H16Br2O3
Mass
428.12
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrans
-
Subclass
Pyranones and derivatives
- Level 5 Dihydropyranones
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Subclass
Pyranones and derivatives
-
Class
Pyrans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrans
Subclass
Pyranones and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Dihydropyranones
Alternative Parents
Delta valerolactones Bromobenzenes Oxanes Aryl bromides Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Bromobenzene - Delta valerolactone - Dihydropyranone - Halobenzene - Delta_valerolactone - Oxane - Benzenoid - Monocyclic benzene moiety - Aryl bromide - Aryl halide - Carboxylic acid ester - Lactone - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organohalogen compound - Organic oxide - Carbonyl group - Alkyl bromide - Organobromide - Organooxygen compound - Organic oxygen compound - Alkyl halide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dihydropyranones. These are compounds containing a hydrogenated pyran ring which bears a ketone, and contains one double bond.
External Descriptors
Not available