Compound Identification
SMILES
[Na+].COC(=O)C1=C(OC)C(OC)=C(C=C1)C([O-])=O
InChIKey
InChIKey=UFRYCQQUCSBDHO-UHFFFAOYSA-M
Formula
C11H11NaO6
Mass
262.193
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 p-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
p-Phthalate esters
Alternative Parents
P-phthalic acid and derivatives O-methoxybenzoic acids and derivatives M-methoxybenzoic acids and derivatives Benzoic acid esters Dimethoxybenzenes Benzoic acids Phenoxy compounds Anisoles Benzoyl derivatives Alkyl aryl ethers Methyl esters Carboxylic acid salts Carboxylic acids Organic sodium salts Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Para-phthalic acid ester - Para_phthalic_acid - M-methoxybenzoic acid or derivatives - O-methoxybenzoic acid or derivatives - Benzoate ester - O-dimethoxybenzene - Dimethoxybenzene - Benzoic acid - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Phenol ether - Alkyl aryl ether - Methyl ester - Carboxylic acid ester - Carboxylic acid salt - Ether - Carboxylic acid - Carboxylic acid derivative - Organic alkali metal salt - Organic salt - Organic oxide - Organic oxygen compound - Organic sodium salt - Hydrocarbon derivative - Organooxygen compound - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-phthalate esters. These are ester derivatives of p-phthalic acids, which are based on a benzene 1,4-dicarboxylic acid skeleton.
External Descriptors
Not available