Compound Identification
SMILES
COC1=C2SC3=C(C(OC)=C(C=C3)C(O)=O)C(=O)OCC2=CC(C)=C1
InChIKey
InChIKey=PKUCKZMFQSVIEA-UHFFFAOYSA-N
Formula
C18H16O6S
Mass
360.38
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
-
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 O-methoxybenzoic acids and derivatives Diarylthioethers Anisoles Alkyl aryl ethers Vinylogous thioesters Lactones Carboxylic acid esters Oxacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Meta-phthalic acid ester - Meta_phthalic_acid - O-methoxybenzoic acid or derivatives - Diarylthioether - Anisole - Aryl thioether - Phenol ether - Alkyl aryl ether - Vinylogous thioester - Lactone - Carboxylic acid ester - Organoheterocyclic compound - Thioether - Ether - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Organic oxide - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic 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