Compound Identification
SMILES
CC1=CC=C(OP2(=O)OC3=C(C=C(Cl)C=C3C(C3=CC(Cl)=CC(=C3O2)[N+]([O-])=O)C(Cl)(Cl)Cl)[N+]([O-])=O)C=C1
InChIKey
InChIKey=ROXJBVBJWLCRLP-UHFFFAOYSA-N
Formula
C21H12Cl5N2O8P
Mass
628.56
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Organic phosphoric acids and derivatives
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Subclass
Phosphate esters
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Level 5
Aryl phosphates
- Level 6 Aryl phosphotriesters
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Level 5
Aryl phosphates
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Subclass
Phosphate esters
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Class
Organic phosphoric acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Organic phosphoric acids and derivatives
Subclass
Phosphate esters
Intermediate Tree Nodes
Aryl phosphates
Direct Parent
Aryl phosphotriesters
Alternative Parents
Phenoxy compounds Nitroaromatic compounds Toluenes Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic salts Organic oxides Hydrocarbon derivatives Alkyl chlorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aryl phosphotriester - Phenoxy compound - Nitroaromatic compound - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - C-nitro compound - Organic nitro compound - Organic oxoazanium - Oxacycle - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Alkyl halide - Organooxygen compound - Organonitrogen compound - Organochloride - Alkyl chloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organic salt - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aryl phosphotriesters. These are aryl phosphates in which the phosphate is esterified at exactly three positions.
External Descriptors
Not available