Compound Identification
SMILES
OCC(OC(=O)C=C)(OC(=O)C=C)OC(=O)C=C.OC(=O)C1=C(C(O)=O)C(C(O)=O)=C(C(O)=O)C(C(O)=O)=C1C(O)=O
InChIKey
InChIKey=OBNBHFNNPCJYQK-UHFFFAOYSA-N
Formula
C23H18O19
Mass
598.378
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Phthalic acid and derivatives
- Level 6 O-phthalic acid and derivatives
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Level 5
Phthalic acid and derivatives
-
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
Phthalic acid and derivatives
Direct Parent
O-phthalic acid and derivatives
Alternative Parents
Tricarboxylic acids and derivatives Benzoic acids Benzoyl derivatives Carboxylic acid orthoesters Acrylic acid esters Enoate esters Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Ortho_phthalic_acid - Benzoic acid - Tricarboxylic acid or derivatives - Benzoyl - Carboxylic acid orthoester - Acrylic acid ester - Acrylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Orthocarboxylic acid derivative - Carboxylic acid derivative - Carboxylic acid - Primary alcohol - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-phthalic acid and derivatives. These are compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 3.
External Descriptors
Not available