Compound Identification
SMILES
CC[C@@H](C[C@H](OS(=O)(=O)C(F)(F)F)C(O)=O)C1=CC=CC=C1
InChIKey
InChIKey=CROZETJAFAGARS-ONGXEEELSA-N
Formula
C13H15F3O5S
Mass
340.31
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylpropanes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylpropanes
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanes
Alternative Parents
Trifluoromethanesulfonates Medium-chain fatty acids Halogenated fatty acids Sulfonic acid esters Organosulfonic acid esters Sulfonyls Methanesulfonates Trihalomethanes Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylpropane - Trifluoromethanesulfonate - Medium-chain fatty acid - Halogenated fatty acid - Sulfonic acid ester - Organosulfonic acid ester - Fatty acyl - Fatty acid - Methanesulfonate - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Trihalomethane - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Alkyl halide - Organic oxide - Organosulfur compound - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic oxygen compound - Halomethane - Carbonyl group - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
External Descriptors
Not available