Compound Identification
SMILES
COC1=C[C@H]2COC(=O)[C@H]2[C@H]([C@@H]1OC(=O)C1=CC=CC=C1)C(O)=O
InChIKey
InChIKey=NVDCYZJFZKEYPP-IGHBBLSQSA-N
Formula
C17H16O7
Mass
332.308
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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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
Isobenzofurans Benzoyl derivatives Gamma butyrolactones Dicarboxylic acids and derivatives Oxolanes Carboxylic acid esters Oxacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Isobenzofuran - Benzoyl - Dicarboxylic acid or derivatives - Gamma butyrolactone - Oxolane - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Carbonyl group - 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