Compound Identification
SMILES
[O-]S([O-])(=O)=O.CC1=CC(Br)=C(NCC(O)CN=C(N)[NH3+])C=C1.CC1=CC(Br)=C(NCC(O)CN=C(N)[NH3+])C=C1
InChIKey
InChIKey=WTDZIJYGJNILTC-UHFFFAOYSA-N
Formula
C22H36Br2N8O6S
Mass
700.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Toluenes
- Level 5 Aminotoluenes
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Subclass
Toluenes
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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
Aminotoluenes
Alternative Parents
Phenylalkylamines 2-bromoanilines Secondary alkylarylamines Bromobenzenes Aryl bromides Organic sulfate salts Organic sulfuric acids and derivatives Secondary alcohols 1,2-aminoalcohols Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Organopnictogen compounds Organic zwitterions Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
2-bromoaniline - Aniline or substituted anilines - Phenylalkylamine - Aminotoluene - Bromobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Organic sulfate salt - Aryl bromide - Aryl halide - Organic sulfuric acid or derivatives - 1,2-aminoalcohol - Guanidine - Secondary alcohol - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Secondary amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Amine - Organohalogen compound - Alcohol - Organic nitrogen compound - Organic zwitterion - Organic salt - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as aminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and one amino group.
External Descriptors
Not available