Compound Identification
SMILES
COC(=O)C1=CC=C(COC2=CC3=C(C=C2)C(=O)\C(O3)=C\C2=C(C)C=CS2)C=C1
InChIKey
InChIKey=NWYFFNIOINORBD-NDENLUEZSA-N
Formula
C23H18O5S
Mass
406.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
-
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
Coumarans Benzofurans Benzoyl derivatives Aryl ketones Alkyl aryl ethers Thiophenes Methyl esters Heteroaromatic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Benzofuran - Coumaran - Benzoyl - Aryl ketone - Alkyl aryl ether - Heteroaromatic compound - Methyl ester - Thiophene - Carboxylic acid ester - Ketone - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Aldehyde - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic 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