Compound Identification
SMILES
COC(=O)C1=CC(=CC(=C1)C(=O)OC)C1=CC=C(C=C)C=C1
InChIKey
InChIKey=QLPJRNKFNAQORW-UHFFFAOYSA-N
Formula
C18H16O4
Mass
296.322
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
Phthalate esters
- Level 7 m-Phthalate esters
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Level 6
Phthalate esters
-
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 Biphenyls and derivatives Benzoic acid esters Styrenes Benzoyl derivatives Methyl esters Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Meta-phthalic acid ester - Meta_phthalic_acid - Biphenyl - Benzoate ester - Styrene - Benzoyl - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic 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