Compound Identification
SMILES
COC(=O)C1=CC(=CC(=C1)C(O)=O)C1=C(OC)C=CC(OC)=C1
InChIKey
InChIKey=IRDPKUNTHSMYDG-UHFFFAOYSA-N
Formula
C17H16O6
Mass
316.309
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 Dimethoxybenzenes Benzoic acid esters Benzoic acids Phenoxy compounds Benzoyl derivatives Anisoles Alkyl aryl ethers Methyl esters Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Meta-phthalic acid ester - Biphenyl - Meta_phthalic_acid - Benzoate ester - Dimethoxybenzene - P-dimethoxybenzene - Benzoic acid - Anisole - Methoxybenzene - Phenol ether - Benzoyl - Phenoxy compound - Alkyl aryl ether - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Ether - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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