Compound Identification
SMILES
CCOC(=O)C1=CC=C(CC2=C(C(=O)OC2(O)C2=CC3=NSN=C3C=C2)C2=CC3=C(OCO3)C=C2)C=C1
InChIKey
InChIKey=OKUMVCWTRQKSAQ-UHFFFAOYSA-N
Formula
C27H20N2O7S
Mass
516.52
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
Benzodioxoles Benzothiadiazoles Benzoyl derivatives Butenolides Dicarboxylic acids and derivatives Thiadiazoles Enoate esters Heteroaromatic compounds Lactones Hemiacetals Acetals Oxacyclic compounds Azacyclic compounds Carbonyl compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Benzodioxole - 2,1,3-benzothiadiazole - Benzoyl - 2-furanone - Dicarboxylic acid or derivatives - Azole - Heteroaromatic compound - Dihydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thiadiazole - Carboxylic acid ester - Hemiacetal - Lactone - Organoheterocyclic compound - Azacycle - Acetal - Carboxylic acid derivative - Oxacycle - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - 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