Compound Identification
SMILES
[Gd+3].CC(N1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(=O)NCC(=O)N(CCCCC(NCC(=O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(O)=O)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=STSZZUISSVQVRS-OZURXGHZSA-N
Formula
C41H56F17GdN7O19S
Mass
1463.21
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
Alpha-amino acyl ester of carbohydrates Dipeptides Pentacarboxylic acids and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Hexoses Alanine and derivatives Alpha amino acids Oxanes Organosulfonic acids and derivatives Aminosulfonyl compounds Trialkylamines Secondary carboxylic acid amides Secondary alcohols Amino acids Carboxylic acid esters Acetals Polyols Oxacyclic compounds Azacyclic compounds Organic metal halides Carboxylic acids Dialkylamines Primary alcohols Carbonyl compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Perfluorooctane sulfonic acid or derivatives - Alpha-dipeptide - Alpha-amino acyl ester of carbohydrate - Pentacarboxylic acid or derivatives - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Hexose monosaccharide - Alanine or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - Oxane - Monosaccharide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Amino acid - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Secondary alcohol - Carboxylic acid ester - Acetal - Organic metal halide - Carboxylic acid derivative - Oxacycle - Carboxylic acid - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary amine - Polyol - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Amine - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Primary alcohol - Carbonyl group - Organic cation - Aliphatic heteromonocyclic 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