Structure Information
Structure

Compound Identification

SMILES

[O-]S(=O)(=O)C(F)(F)F.CCOC(=O)C\C=C\[C@H]1C[C@H]2CC[C@H](CCC3=CC=CC=C3)[N+]2=C(N)N1

InChIKey

InChIKey=NSKDHGHIBJZLIG-QDVWVABXSA-N

Formula

C22H30F3N3O5S

Mass

505.55

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Organic sulfonic acids and derivatives

Subclass

Organosulfonic acids and derivatives

Intermediate Tree Nodes

Alkanesulfonic acids and derivatives - Alkanesulfonic acids

Direct Parent

Trifluoromethanesulfonates

Alternative Parents

Molecular Framework

Not available

Substituents

Trifluoromethanesulfonate - Fatty acid ester - Monocyclic benzene moiety - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Fatty acyl - Benzenoid - Methanesulfonate - Pyrrolidine - Organosulfonic acid - Sulfonyl - Carboxylic acid ester - Trihalomethane - Guanidine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Hydrocarbon derivative - Halomethane - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Alkyl fluoride - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as trifluoromethanesulfonates. These are alkanesulfonic acids, that contain a sulfonate group that is substituted with a trifluoromethyl group.

External Descriptors

Not available

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