Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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