Compound Identification
SMILES
CC1=CC(C)=C(\C(=N\OS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(F)(F)F)C(C)=C1
InChIKey
InChIKey=QQCDZZCNRDFECV-QQTULTPQSA-N
Formula
C21H18F3NO3S
Mass
421.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Naphthalenes
-
Subclass
Naphthalene sulfonic acids and derivatives
-
Level 5
Naphthalene sulfonates
- Level 6 2-naphthalene sulfonates
-
Level 5
Naphthalene sulfonates
-
Subclass
Naphthalene sulfonic acids and derivatives
-
Class
Naphthalenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Naphthalene sulfonic acids and derivatives
Intermediate Tree Nodes
Naphthalene sulfonates
Direct Parent
2-naphthalene sulfonates
Alternative Parents
2-naphthalene sulfonic acids and derivatives Arylsulfonic acids and derivatives Benzene and substituted derivatives Sulfonyls Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - Arylsulfonic acid or derivatives - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic oxide - Organic oxygen compound - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic nitrogen compound - Alkyl halide - Hydrocarbon derivative - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
External Descriptors
Not available