Compound Identification
SMILES
[O-]C(=O)C1=CC=C(C=C1)C([O-])=O.[O-]C(=O)C1=CC=C(C=C1)C([O-])=O.CC1C2=CC3=C4OCOC5=C(C[N+]6=CC=CC=C6)C6=C(C=C5C3C)C(C)C3=C(OCO6)C(C[N+]5=CC=CC=C5)=C5OCOC6=C(C=C1C(OCOC2=C4C[N+]1=CC=CC=C1)=C6C[N+]1=CC=CC=C1)C(C)C5=C3
InChIKey
InChIKey=FSMBAIPQVZANJP-UHFFFAOYSA-J
Formula
C76H64N4O16
Mass
1289.36
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
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Level 5
Phthalic acid and derivatives
- Level 6 P-phthalic acid and derivatives
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Level 5
Phthalic acid and derivatives
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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
Benzoic acids Benzoyl derivatives Pyridinium derivatives Dicarboxylic acids and derivatives Heteroaromatic compounds Carboxylic acid salts Oxacyclic compounds Carboxylic acids Azacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
Para_phthalic_acid - Benzoic acid - Benzoyl - Dicarboxylic acid or derivatives - Pyridine - Pyridinium - Heteroaromatic compound - Carboxylic acid salt - Organoheterocyclic compound - Oxacycle - Carboxylic acid - Acetal - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic 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