Compound Identification
SMILES
O[C@@H]1[C@@H](O)[C@@H](OCC2=CC(=C(C=C2)[N+]([O-])=O)C(F)(F)F)[C@@H](CC2=CC=CC=C2)S(=O)(=O)[C@H](CC2=CC=CC=C2)[C@@H]1OCC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F
InChIKey
InChIKey=DGASZJAAJPUUFH-FCJVTMLMSA-N
Formula
C36H32F6N2O10S
Mass
798.71
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Trifluoromethylbenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Trifluoromethylbenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Trifluoromethylbenzenes
Alternative Parents
Benzylethers Nitrobenzenes Nitroaromatic compounds Thiepanes Sulfones Secondary alcohols 1,2-diols Propargyl-type 1,3-dipolar organic compounds Dialkyl ethers Organic oxoazanium compounds Organic oxides Organic zwitterions Hydrocarbon derivatives Organofluorides Organonitrogen compounds Alkyl fluorides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - Benzylether - Nitrobenzene - Nitroaromatic compound - Thiepane - Sulfone - 1,2-diol - C-nitro compound - Secondary alcohol - Organic nitro compound - Dialkyl ether - Ether - Organic oxoazanium - Organoheterocyclic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organofluoride - Alkyl fluoride - Organohalogen compound - Organic oxide - Organopnictogen compound - Alcohol - Organooxygen compound - Hydrocarbon derivative - Alkyl halide - Organic zwitterion - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
External Descriptors
Not available