Compound Identification
SMILES
[Na+].CC1=CC=C(C=C1)[B-](O)(C1=CC=C(C)C=C1)C1=CC=C(C)C=C1
InChIKey
InChIKey=BXQZYESRUSXQQZ-UHFFFAOYSA-N
Formula
C21H22BNaO
Mass
324.21
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
Borinic acids Organic metalloid salts Organometalloid compounds Organic zwitterions Organic sodium salts Organic oxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Toluene - Borinic acid - Borinic acid derivative - Organic alkali metal salt - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organic zwitterion - Organic metalloid moeity - Aromatic homomonocyclic 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