Compound Identification
SMILES
CCOP(=S)(OCCNS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O)C1=CC=CC=C1
InChIKey
InChIKey=DEXSAZFJDDPAJN-UHFFFAOYSA-N
Formula
C16H19N2O6PS2
Mass
430.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
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Subclass
Phenylphosphonothioates
- Level 5 Phenyl ethylphosphonothioates
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Subclass
Phenylphosphonothioates
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylphosphonothioates
Intermediate Tree Nodes
Not available
Direct Parent
Phenyl ethylphosphonothioates
Alternative Parents
Benzenesulfonamides Nitrobenzenes Benzenesulfonyl compounds Nitroaromatic compounds Organosulfonamides Aminosulfonyl compounds Propargyl-type 1,3-dipolar organic compounds Organothiophosphorus compounds Organic oxoazanium compounds Organooxygen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenyl ethylphosphonothioate - Benzenesulfonamide - Nitrobenzene - Benzenesulfonyl group - Nitroaromatic compound - Organosulfonic acid amide - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Organic sulfonic acid or derivatives - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organothiophosphorus compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organosulfur compound - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenyl ethylphosphonothioates. These are aromatic compounds containing a phenylphosphonothioate group, which is O-esterified with an ethyl group. They have the general structure OP(R)(=S)OR', where R=phenyl group, R' = ethyl group.
External Descriptors
Not available