Compound Identification
SMILES
C[C@H](OC(=O)C1=CC=CC=C1)[C@@]12SC3=CC=CC=C3C1=C1C(=C3C4=CC=CC=C4S[C@@]23C)C(F)(F)C(F)(F)C1(F)F
InChIKey
InChIKey=AEHFOYMOCJCIIW-CKZDFEDFSA-N
Formula
C31H20F6O2S2
Mass
602.61
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
Benzoyl derivatives Alkylarylthioethers Carboxylic acid esters Organoheterocyclic compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Aryl thioether - Benzoyl - Alkylarylthioether - Carboxylic acid ester - Carboxylic acid derivative - Thioether - Organoheterocyclic compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Alkyl fluoride - Organic oxide - Organic oxygen compound - Organooxygen compound - Alkyl halide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available