Compound Identification
SMILES
CC1=CC=C(SOCC2(Br)COCOC2)C=C1
InChIKey
InChIKey=NMSJLNIEJMDCBB-UHFFFAOYSA-N
Formula
C12H15BrO3S
Mass
319.21
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Toluenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Not available
Direct Parent
Toluenes
Alternative Parents
1,3-dioxanes Organic thioperoxides Sulfenyl compounds Oxacyclic compounds Acetals Organobromides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Toluene - Meta-dioxane - Organic thioperoxide - Acetal - Oxacycle - Organoheterocyclic compound - Sulfenyl compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane group.
External Descriptors
Not available