Compound Identification
SMILES
CC1=CC=C(C=C1)S(O)(=O)=O.COC1=C(OC)C=C(\C=N/N(O)C(N)=N)C(Br)=C1
InChIKey
InChIKey=TYEFGPFNYXMXPU-MFGIPTIESA-N
Formula
C17H21BrN4O6S
Mass
489.34
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
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 Dimethoxybenzenes 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Phenoxy compounds Anisoles Alkyl aryl ethers Bromobenzenes N-hydroxyguanidines Aryl bromides Sulfonyls Organosulfonic acids Carboximidamides Hydrocarbon derivatives Imines Organic oxides Organobromides
Molecular Framework
Not available
Substituents
P-methylbenzenesulfonate - O-dimethoxybenzene - Dimethoxybenzene - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Toluene - N-hydroxyguanidine - Aryl bromide - Aryl halide - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Guanidine - Carboximidamide - Ether - Organic oxide - Imine - Organohalogen compound - Organobromide - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organosulfur compound - 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