Compound Identification
SMILES
CC1=CC=C(C=C1)S(O)(=O)=O.NC(NO)=NNC=C1C=C(Br)C=C(Br)C1=O
InChIKey
InChIKey=VDKYNMILZHTYEO-UHFFFAOYSA-N
Formula
C15H16Br2N4O5S
Mass
524.18
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzenesulfonic acids and derivatives
- Level 5 p-Methylbenzenesulfonates
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Subclass
Benzenesulfonic acids and derivatives
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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
Tosyl compounds Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds O-quinomethanes N-hydroxyguanidines Vinylogous amides Sulfonyls Organosulfonic acids Alpha-haloketones Vinyl bromides Hydrazones Bromoalkenes Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - O-quinomethane - Quinomethane - Toluene - N-hydroxyguanidine - Alpha-haloketone - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Vinylogous amide - Cyclic ketone - Guanidine - Ketone - Vinyl bromide - Hydrazone - Haloalkene - Bromoalkene - Vinyl halide - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Aromatic homomonocyclic 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