Compound Identification
SMILES
COC(=O)CSC1=C(C=C(C=C1)C(N)=O)[N+]([O-])=O
InChIKey
InChIKey=FXFBYZUADRYZQT-UHFFFAOYSA-N
Formula
C10H10N2O5S
Mass
270.26
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Sulfanylbenzoic acids and derivatives
Direct Parent
P-sulfanylbenzoic acids and derivatives
Alternative Parents
Nitrobenzenes Benzamides Thiophenol ethers Nitroaromatic compounds Benzoyl derivatives Alkylarylthioethers Methyl esters Primary carboxylic acid amides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
P-sulfanylbenzoic acid or derivatives - Nitrobenzene - Benzamide - Aryl thioether - Nitroaromatic compound - Thiophenol ether - Benzoyl - Alkylarylthioether - Methyl ester - Organic nitro compound - Primary carboxylic acid amide - C-nitro compound - Carboxylic acid ester - Carboxamide group - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Thioether - Organic oxoazanium - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-sulfanylbenzoic acids and derivatives. These are benzoic acids (or derivatives) which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 4, respectively.
External Descriptors
Not available