Compound Identification
SMILES
COC1=CC(=CC(OC)=C1)C(=O)N(CC1=CC=CO1)CC1=CC=C(OS(=O)(=O)C2=CC=C(F)C=C2)C=C1
InChIKey
InChIKey=IVQMJQHMMPMTAE-UHFFFAOYSA-N
Formula
C27H24FNO7S
Mass
525.55
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzenesulfonic acids and derivatives
- Level 5 Benzenesulfonate esters
-
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
Dimethoxybenzenes Arylsulfonic acids and derivatives Benzamides Benzenesulfonyl compounds Anisoles Phenoxy compounds Benzoyl derivatives Alkyl aryl ethers Fluorobenzenes Aryl fluorides Organosulfonic acid esters Sulfonyls Tertiary carboxylic acid amides Furans Heteroaromatic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonate ester - Dimethoxybenzene - M-dimethoxybenzene - Benzoic acid or derivatives - Benzamide - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Anisole - Benzoyl - Methoxybenzene - Phenoxy compound - Phenol ether - Fluorobenzene - Halobenzene - Alkyl aryl ether - Organosulfonic acid ester - Aryl fluoride - Aryl halide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Sulfonyl - Tertiary carboxylic acid amide - Furan - Carboxamide group - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen 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