Compound Identification
SMILES
OC(CC[N+]1=C(NC2=CC=C(C=C2)[N+]([O-])=O)SC=C1C1=CC=CC=C1)(P(O)(O)=O)P(O)(O)=O
InChIKey
InChIKey=UYBHYAWILYCKDD-UHFFFAOYSA-O
Formula
C18H20N3O9P2S
Mass
516.38
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Bisphosphonates Aniline and substituted anilines Nitroaromatic compounds 2,4-disubstituted thiazoles 2-amino-1,3-thiazoles Organic phosphonic acids Heteroaromatic compounds Secondary amines Organic oxoazanium compounds Azacyclic compounds Organophosphorus compounds Hydrocarbon derivatives Organic oxides Organic salts Organooxygen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Bisphosphonate - Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - 1,3-thiazol-2-amine - Azole - Heteroaromatic compound - Organophosphonic acid - Organophosphonic acid derivative - Thiazole - C-nitro compound - Organic nitro compound - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Secondary amine - Organonitrogen compound - Organic salt - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organophosphorus compound - Organic oxygen compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors
Not available