Compound Identification
SMILES
C[C@](O)(CI)COS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=RGHMHAJGYNTVAZ-JTQLQIEISA-N
Formula
C10H12INO6S
Mass
401.17
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzenesulfonic acids and derivatives
- Level 5 p-Nitrobenzenesulfonates
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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 Nitrobenzenes Arylsulfonic acids and derivatives Nitroaromatic compounds Sulfonic acid esters Organosulfonic acid esters Tertiary alcohols Sulfonyls Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organic zwitterions Organic oxoanionic compounds Organic oxides Hydrocarbon derivatives Alkyl iodides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
P-nitrobenzenesulfonate - Benzenesulfonate ester - P-bromobenzenesulfonate - Nitrobenzene - Arylsulfonic acid or derivatives - Nitroaromatic compound - Organosulfonic acid ester - Sulfonic acid ester - Tertiary alcohol - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organoiodide - Organic hyponitrite - Organohalogen compound - Alkyl iodide - Alkyl halide - Alcohol - 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