Compound Identification
SMILES
Cc1cc(N=Nc2c(O[Ba])ccc3ccccc23)c(cc1Cl)S(=O)(=O)O[Ba]
InChIKey
InChIKey=VZRUDOOZAZKCQR-UHFFFAOYSA-L
Formula
C17H11Ba2ClN2O4S
Mass
649.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzenesulfonic acids and derivatives
- Level 5 p-Methylbenzenesulfonates
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Subclass
Benzenesulfonic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
p-Methylbenzenesulfonates
Alternative Parents
Naphthalenes Benzenesulfonyl compounds Arylsulfonic acids and derivatives Toluenes Chlorobenzenes Aryl chlorides Sulfonyls Azo compounds Propargyl-type 1,3-dipolar organic compounds Organic metal salts Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
P-methylbenzenesulfonate - Naphthalene - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Toluene - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azo compound - Organic metal salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as p-methylbenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a methyl group at the para- position.
External Descriptors
Not available