Compound Identification
SMILES
COC1=C(OS(=O)(=O)C2=CC(=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)C=CC(C=C2C(=O)NN(C2=O)C2=CC=C(F)C=C2)=C1
InChIKey
InChIKey=PJSNKSZOCDGHJD-UHFFFAOYSA-N
Formula
C23H15FN4O10S
Mass
558.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzenesulfonic acids and derivatives
- Level 5 p-Nitrobenzenesulfonates
-
Subclass
Benzenesulfonic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
p-Nitrobenzenesulfonates
Alternative Parents
p-Bromobenzenesulfonates Benzenesulfonate esters Arylsulfonic acids and derivatives Benzenesulfonyl compounds Nitrobenzenes Phenoxy compounds Nitroaromatic compounds Methoxybenzenes Anisoles Alkyl aryl ethers Fluorobenzenes Organosulfonic acid esters Pyrazolidinones Aryl fluorides Sulfonyls Carboxylic acid hydrazides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organofluorides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
P-nitrobenzenesulfonate - P-bromobenzenesulfonate - Benzenesulfonate ester - Nitrobenzene - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Nitroaromatic compound - Methoxybenzene - Anisole - Halobenzene - Fluorobenzene - Alkyl aryl ether - Organosulfonic acid ester - Pyrazolidinone - Aryl halide - Aryl fluoride - Pyrazolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carboxylic acid hydrazide - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Organic salt - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-nitrobenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a nitro group at the para- position.
External Descriptors
Not available