Compound Identification
SMILES
CC1=CC=C(S1)C1=CC=C(S1)C1=C(C)C(C(O)=O)=C(C2=CC=C(S2)C2=CC=C(C)S2)C(C)=C1C(O)=O
InChIKey
InChIKey=KSZCNEFVCLRSKX-UHFFFAOYSA-N
Formula
C28H22O4S4
Mass
550.72
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 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
Bi- and oligothiophenes Benzoic acids p-Xylenes Benzoyl derivatives 2,5-disubstituted thiophenes Heteroaromatic compounds Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Para_phthalic_acid - Bithiophene - Benzoic acid - Benzoyl - P-xylene - Xylene - 2,5-disubstituted thiophene - Heteroaromatic compound - Thiophene - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic oxide - Aromatic heteromonocyclic 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