Compound Identification
SMILES
[I-].[O-]S(=O)(=O)C(F)(F)F.NC(=O)C[N+]12CC[N+](CCC3=C4C=CC=C5NS(=O)(=O)C(C=C3)=C45)(CC1)CC2
InChIKey
InChIKey=OQHHQSQYAPFBHK-UHFFFAOYSA-M
Formula
C21H26F3IN4O6S2
Mass
678.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Naphthalenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Naphthalene sulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
1-naphthalene sulfonic acids and derivatives
Alternative Parents
1-naphthalene sulfonamides Alpha amino acid amides N-piperazineacetamides Benzothiazoles Phenethylamines Trifluoromethanesulfonates Aralkylamines N-alkylpiperazines Organosulfonamides Tetraalkylammonium salts Sulfonyls Methanesulfonates Organosulfonic acids Trihalomethanes Primary carboxylic acid amides Azacyclic compounds Alkyl fluorides Hydrocarbon derivatives Carbonyl compounds Organofluorides Organic iodide salts Organic oxides Organic zwitterions
Molecular Framework
Not available
Substituents
1-naphthalene sulfonamide - Naphthalene sulfonamide - 1-naphthalene sulfonic acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - N-piperazineacetamide - 1,2-benzothiazole - Phenethylamine - Trifluoromethanesulfonate - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Piperazine - Organosulfonic acid amide - Tetraalkylammonium salt - Methanesulfonate - Quaternary ammonium salt - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Carboxamide group - Primary carboxylic acid amide - Trihalomethane - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic zwitterion - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Halomethane - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Organic iodide salt - Amine - Organic salt - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-naphthalene sulfonic acids and derivatives. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group (or a derivative thereof) at the 1-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
External Descriptors
Not available