Compound Identification
SMILES
[O-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F.CC(C)C1=C(C(C)C)C([NH2+]C2=C(C)C=C(C)C=C2C)=CC=C1
InChIKey
InChIKey=QNMAKNHACIBYGG-UHFFFAOYSA-N
Formula
C27H30F5NO3S
Mass
543.59
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzenesulfonic acids and derivatives
Alternative Parents
Phenylpropanes Cumenes Benzenesulfonyl compounds Arylsulfonic acids and derivatives Aniline and substituted anilines Fluorobenzenes Primary aromatic amines Aryl fluorides Sulfonyls Organosulfonic acids Secondary amines Organofluorides Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Benzenesulfonate - Arylsulfonic acid or derivatives - Cumene - Phenylpropane - Benzenesulfonyl group - Aniline or substituted anilines - Fluorobenzene - Halobenzene - Primary aromatic amine - Aryl fluoride - Aryl halide - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary amine - Organic zwitterion - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is linked to a benzene ring.
External Descriptors
Not available