Compound Identification
SMILES
CC1=CC(C)=C(C(C)=C1)S(=O)(=O)OC[C@H]1OC(C)(C)O[C@H]1[C@H](NC(=O)OCC1=CC=CC=C1)[C@H]1CCC(=O)O1
InChIKey
InChIKey=ZECFENXNJBBQKL-WMMXXEOUSA-N
Formula
C28H35NO9S
Mass
561.65
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 Benzyloxycarbonyls Arylsulfonic acids and derivatives Benzenesulfonyl compounds Ketals Organosulfonic acid esters Gamma butyrolactones 1,3-dioxolanes Sulfonyls Oxolanes Carbamate esters Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonate ester - P-methylbenzenesulfonate - Benzyloxycarbonyl - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Ketal - Gamma butyrolactone - Organosulfonic acid ester - Meta-dioxolane - Oxolane - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Carbamic acid ester - Sulfonyl - Carboxylic acid ester - Lactone - Monocarboxylic acid or derivatives - Acetal - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen 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