Compound Identification
SMILES
CCOC(=O)C1=CC([NH+](O)[O-])=C(CS(=O)C2=CC=C(OC)C=C2)C=C1
InChIKey
InChIKey=NCPDTVMYQWXLPK-UHFFFAOYSA-N
Formula
C17H19NO6S
Mass
365.4
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic 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
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
Benzyl sulfoxides Phenyl sulfoxides Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Sulfoxides Carboxylic acid esters Sulfinyl compounds N-organohydroxylamines Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzyl sulfoxide - Benzoate ester - Phenyl sulfoxide - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Carboxylic acid ester - Sulfoxide - Sulfinyl compound - N-organohydroxylamine - Ether - Carboxylic acid derivative - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Organic salt - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available