Compound Identification
SMILES
CC(C)OP(=O)(COC[C@H](OC(=O)C1=CC=CC=C1)[C@@H](COCP(=O)(OC(C)C)OC(C)C)N1C=NC2=C(N=C(N)N=C12)C1CC1)OC(C)C
InChIKey
InChIKey=RPAUPVQXZVVJBO-IZLXSDGUSA-N
Formula
C33H51N5O10P2
Mass
739.744
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
Purines and purine derivatives Benzoyl derivatives Dialkyl alkylphosphonates Aminopyrimidines and derivatives Phosphonic acid esters N-substituted imidazoles Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Azacyclic compounds Primary amines Organophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Purine - Imidazopyrimidine - Benzoyl - Aminopyrimidine - Dialkyl alkylphosphonate - Phosphonic acid diester - Pyrimidine - Phosphonic acid ester - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Organophosphonic acid derivative - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Primary amine - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available