Compound Identification
SMILES
COC1=CC=CC(OC)=C1C(=O)N(CC1=CC=CO1)CC1=CC(OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)=C(OC)C=C1
InChIKey
InChIKey=YGFRPIORNHZSJH-UHFFFAOYSA-N
Formula
C29H26F3NO8S
Mass
605.58
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
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Class
Benzene and substituted derivatives
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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 Dimethoxybenzenes Arylsulfonic acids and derivatives Benzamides Benzenesulfonyl compounds Phenoxy compounds Anisoles Benzoyl derivatives Alkyl aryl ethers Organosulfonic acid esters Tertiary carboxylic acid amides Sulfonyls Heteroaromatic compounds Furans Oxacyclic compounds Organic oxides Organofluorides Organonitrogen compounds Alkyl fluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonate ester - Dimethoxybenzene - M-dimethoxybenzene - Trifluoromethylbenzene - Benzoic acid or derivatives - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Benzamide - Phenol ether - Benzoyl - Phenoxy compound - Methoxybenzene - Anisole - Alkyl aryl ether - Organosulfonic acid ester - Furan - Tertiary carboxylic acid amide - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Carboxamide group - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organooxygen 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