Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC1=CC=CC=C1C1NC(=O)N(CCCC(O)=O)C(C)=C1C(=O)OCC1=CC=CC=C1
InChIKey
InChIKey=YTVCOOQMSIPUSR-UHFFFAOYSA-N
Formula
C30H30N2O8S
Mass
578.64
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
p-Methylbenzenesulfonates Tosyl compounds Benzyloxycarbonyls Arylsulfonic acids and derivatives Benzenesulfonyl compounds Phenoxy compounds Pyrimidones Organosulfonic acid esters Hydropyrimidines Dicarboxylic acids and derivatives Vinylogous amides Sulfonyls Enoate esters Ureas Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Carbonyl compounds Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonate ester - P-methylbenzenesulfonate - Benzyloxycarbonyl - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - Pyrimidone - Toluene - Dicarboxylic acid or derivatives - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Pyrimidine - Organosulfonic acid ester - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Sulfonyl - Enoate ester - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Urea - Carboxylic acid ester - Carboxylic acid - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - 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