Compound Identification
SMILES
Cl.Cl.C[C@@H](N)C(O)C1=CC=CC=C1.CNC[C@H](O)C1=CC(O)=CC=C1.CN(C)CCCC1=CC=CC=N1.OC(=O)\C=C\C(=O)OC1=CC=C(Br)C=C1
InChIKey
InChIKey=AALUXDNCEJEVQP-ATCNMQHSSA-N
Formula
C38H51BrCl2N4O7
Mass
826.65
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
Phenylpropanes Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aralkylamines Fatty acid esters Bromobenzenes Pyridines and derivatives Aryl bromides Dicarboxylic acids and derivatives Heteroaromatic compounds Enoate esters Trialkylamines Secondary alcohols 1,2-aminoalcohols Azacyclic compounds Dialkylamines Carboxylic acids Organobromides Hydrocarbon derivatives Aromatic alcohols Hydrochlorides Organic oxides Carbonyl compounds Monoalkylamines
Molecular Framework
Not available
Substituents
Phenol ester - Phenylpropane - Phenoxy compound - Bromobenzene - Fatty acid ester - Halobenzene - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Aralkylamine - 1-hydroxy-2-unsubstituted benzenoid - Fatty acyl - Aryl halide - Monocyclic benzene moiety - Pyridine - Aryl bromide - Dicarboxylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - 1,2-aminoalcohol - Secondary alcohol - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Amine - Alcohol - Organic oxygen compound - Aromatic alcohol - Primary amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Hydrochloride - Primary aliphatic amine - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic 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