Compound Identification
SMILES
Cc1cc(C[N+](C)(C)C)c(OS(=O)(=O)c2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)c(C[N+](C)(C)C)c1
InChIKey
InChIKey=SIFASELTGCXHHD-UHFFFAOYSA-N
Formula
C21H30N4O7S
Mass
482.55
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzenesulfonic acids and derivatives
- Level 5 p-Nitrobenzenesulfonates
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Subclass
Benzenesulfonic 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
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
p-Nitrobenzenesulfonates
Alternative Parents
p-Bromobenzenesulfonates Benzenesulfonate esters Nitrobenzenes Arylsulfonic acids and derivatives Phenylmethylamines Phenoxy compounds Nitroaromatic compounds Benzylamines Aralkylamines Organosulfonic acid esters Tetraalkylammonium salts Sulfonyls Organopnictogen compounds Organooxygen compounds Organic salts Organic oxoanionic compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
P-nitrobenzenesulfonate - Benzenesulfonate ester - P-bromobenzenesulfonate - Nitrobenzene - Arylsulfonic acid or derivatives - Phenoxy compound - Nitroaromatic compound - Phenylmethylamine - Benzylamine - Aralkylamine - Organosulfonic acid ester - Tetraalkylammonium salt - Sulfonyl - Organosulfonic acid or derivatives - Quaternary ammonium salt - Organic nitro compound - C-nitro compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic hyponitrite - Amine - Organic cation - Aromatic homomonocyclic 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