Compound Identification
SMILES
COC(=O)C(SC(N)=[NH2+])C=C.[O-][N+](=O)C1=CC=C(C=C1)S([O-])(=O)=O
InChIKey
InChIKey=LRTXNCFGTQGUAS-UHFFFAOYSA-N
Formula
C12H15N3O7S2
Mass
377.39
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
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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 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Nitrobenzenes Nitroaromatic compounds Fatty acid esters Organosulfonic acids Methyl esters Sulfonyls Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboximidamides Sulfenyl compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic salts Organic cations
Molecular Framework
Not available
Substituents
P-nitrobenzenesulfonate - P-bromobenzenesulfonate - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Nitrobenzene - Benzenesulfonyl group - Nitroaromatic compound - Fatty acid ester - Fatty acyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Methyl ester - Organic nitro compound - C-nitro compound - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Organonitrogen compound - Carbonyl group - Organic salt - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - 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