Compound Identification
SMILES
S(C1=CC=CC=C1)C1=CC=CC=C1.OC(=O)C1=CC(COCC2=C(C=CC(=C2)C(O)=O)C(O)=O)=C(C=C1)C(O)=O.OC(=O)C1=CC(COCC2=C(C=CC(=C2)C(O)=O)C(O)=O)=C(C=C1)C(O)=O
InChIKey
InChIKey=KDIRSGWPROEZLG-UHFFFAOYSA-N
Formula
C48H38O18S
Mass
934.87
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Phthalic acid and derivatives
- Level 6 P-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
P-phthalic acid and derivatives
Alternative Parents
Polyphenyl thioethers Diarylthioethers Benzylethers Benzoic acids Thiophenol ethers Benzoyl derivatives Sulfenyl compounds Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Para_phthalic_acid - Polyphenyl thioether - Diarylthioether - Benzoic acid - Benzylether - Benzoyl - Thiophenol ether - Aryl thioether - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Thioether - Organic oxygen compound - Organic oxide - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-phthalic acid and derivatives. These are compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 4.
External Descriptors
Not available