Compound Identification
SMILES
OC(=O)C1=CC(C(=O)O\C=C\C2=CC3=C(O)C=CC(O)=C3C=C2O)=C(O)C=C1O
InChIKey
InChIKey=GVOVUUGMYUOPJR-ONEGZZNKSA-N
Formula
C20H14O9
Mass
398.323
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
Phthalic acid and derivatives
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Level 6
Phthalate esters
- Level 7 m-Phthalate esters
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Level 6
Phthalate esters
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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 - Phthalate esters
Direct Parent
m-Phthalate esters
Alternative Parents
M-phthalic acid and derivatives p-Hydroxybenzoic acid esters o-Hydroxybenzoic acid esters Naphthols and derivatives Salicylic acids Benzoic acids Resorcinols Styrenes Hydroquinones Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Enol esters Polyols Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Meta-phthalic acid ester - Meta_phthalic_acid - P-hydroxybenzoic acid ester - O-hydroxybenzoic acid ester - 2-naphthol - 1-naphthol - Dihydroxybenzoic acid - Naphthalene - Benzoate ester - Hydroxybenzoic acid - Salicylic acid or derivatives - Salicylic acid - Benzoic acid - Resorcinol - Benzoyl - Styrene - Hydroquinone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Enol ester - Vinylogous acid - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Polyol - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as m-phthalate esters. These are ester derivatives of m-phthalic acids, which are based on a benzene 1,3-dicarboxylic acid skeleton.
External Descriptors
Not available