Compound Identification
SMILES
CCCN(CCOC(=O)C1=CC(C(=O)OCC(O)CCl)=C(C=C1C(=O)OCC(O)CCl)C(=O)OCCN(CCC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey
InChIKey=GVJOJPKGBLJYRB-UHFFFAOYSA-N
Formula
C42H36Cl2F34N2O14S2
Mass
1573.72
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organohalogen compounds
-
Class
Alkyl halides
- Subclass Alkyl fluorides
-
Class
Alkyl halides
-
Superclass
Organohalogen compounds
Kingdom
Organic compounds
Superclass
Organohalogen compounds
Class
Alkyl halides
Subclass
Alkyl fluorides
Intermediate Tree Nodes
Perfluoroalkyl sulfonic acid and derivatives
Direct Parent
Perfluorooctane sulfonic acid and derivatives
Alternative Parents
Benzoic acid esters Benzoyl derivatives Organosulfonamides Organic sulfonamides Aminosulfonyl compounds Secondary alcohols Chlorohydrins Carboxylic acid esters Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Perfluorooctane sulfonic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Organic sulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary alcohol - Carboxylic acid ester - Chlorohydrin - Halohydrin - Carboxylic acid derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl chloride - Organofluoride - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as perfluorooctane sulfonic acid and derivatives. These are organic compounds containing an octyl chain attached to the sulfur of a sulfonic acid (or a derivative thereof), where all hydrogens of the octyl chain are replaced by fluorine atoms.
External Descriptors
Not available