Compound Identification
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)N(CC1=CC=CO1)CC1=CC(OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)=CC=C1
InChIKey
InChIKey=VTPFOOUTYCNMBM-UHFFFAOYSA-N
Formula
C30H28F3NO5S
Mass
571.61
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
Benzenesulfonic acids and derivatives
- Level 5 Benzenesulfonate esters
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Subclass
Benzenesulfonic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzenesulfonate esters
Alternative Parents
Trifluoromethylbenzenes Phenylpropanes Arylsulfonic acids and derivatives Benzamides Benzenesulfonyl compounds Phenoxy compounds Benzoyl derivatives Organosulfonic acid esters Tertiary carboxylic acid amides Sulfonyls Furans Heteroaromatic compounds Oxacyclic compounds Organic oxides Organofluorides Organonitrogen compounds Organooxygen compounds Alkyl fluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonate ester - Trifluoromethylbenzene - Arylsulfonic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzenesulfonyl group - Phenylpropane - Phenoxy compound - Benzoyl - Organosulfonic acid ester - Heteroaromatic compound - Furan - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzenesulfonate esters. These are arenesulfonate esters that result from the formal condensation of the hydroxy group of an alcohol, enol, phenol or heteroarenol with benzenesulfonic acid.
External Descriptors
Not available