Compound Identification
SMILES
[O-]S(=O)(=O)C(F)(F)F.CC1=CC=C(C=C1)S(=O)(=O)C[N+]1=CC=CC=C1N
InChIKey
InChIKey=SMDNEFMMWXMTMX-UHFFFAOYSA-N
Formula
C14H15F3N2O5S2
Mass
412.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Toluenes
- Level 5 Tosyl compounds
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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
Tosyl compounds
Alternative Parents
Benzenesulfonyl compounds Trifluoromethanesulfonates Aminopyridines and derivatives Pyridinium derivatives Sulfones Heteroaromatic compounds Methanesulfonates Organosulfonic acids Trihalomethanes Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Alkyl fluorides Primary amines Organic cations
Molecular Framework
Not available
Substituents
Tosyl compound - Benzenesulfonyl group - Trifluoromethanesulfonate - Aminopyridine - Pyridine - Pyridinium - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Sulfone - Heteroaromatic compound - Organic sulfonic acid or derivatives - Alkanesulfonic acid - Methanesulfonate - Trihalomethane - Organoheterocyclic compound - Azacycle - Alkyl fluoride - Alkyl halide - Hydrocarbon derivative - Halomethane - Organic oxide - Primary amine - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as tosyl compounds. These are organosulfur compounds containing a tosyl group, with the general formula CH3C6H4S(O2)R (R = any atom).
External Descriptors
Not available