Compound Identification
SMILES
[Cs+].[Cs+].[O-]C(=O)C1=CC(=CC(=C1)C([O-])=O)C1=CC=C(S1)C1=CC2=C(OCCOCCOCCOCCOCCO2)C=C1
InChIKey
InChIKey=MLVBKESLOUCBTH-UHFFFAOYSA-L
Formula
C28H28Cs2O10S
Mass
822.39
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 M-phthalic acid and derivatives
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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
Direct Parent
M-phthalic acid and derivatives
Alternative Parents
Benzoic acids Benzoyl derivatives Alkyl aryl ethers 2,5-disubstituted thiophenes Heteroaromatic compounds Carboxylic acid salts Oxacyclic compounds Organic alkali metal salts Dialkyl ethers Carboxylic acids Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Meta_phthalic_acid - Benzoic acid - Benzoyl - Alkyl aryl ether - 2,5-disubstituted thiophene - Heteroaromatic compound - Thiophene - Carboxylic acid salt - Organoheterocyclic compound - Organic alkali metal salt - Oxacycle - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organic zwitterion - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic salt - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as m-phthalic acid and derivatives. These are aromatic compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 2.
External Descriptors
Not available