Compound Identification
SMILES
CS(O)(=O)=O.CC(C)CC(=O)OC1=C(O)C=C(C=C1)C(O)CNC(C)(C)C
InChIKey
InChIKey=SQZVPQLMGXTAIX-UHFFFAOYSA-N
Formula
C18H31NO7S
Mass
405.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Phenol esters
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol esters
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenol esters
Alternative Parents
Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Fatty acid esters Aralkylamines Sulfonyls Organosulfonic acids Methanesulfonates Alkanesulfonic acids Secondary alcohols 1,2-aminoalcohols Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Dialkylamines Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
Molecular Framework
Not available
Substituents
Phenol ester - Phenoxy compound - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Phenol - Aralkylamine - Monocyclic benzene moiety - Fatty acyl - Methanesulfonate - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Secondary alcohol - Amino acid or derivatives - Carboxylic acid ester - 1,2-aminoalcohol - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Carbonyl group - Alcohol - Amine - Hydrocarbon derivative - Aromatic alcohol - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.
External Descriptors
Not available