Compound Identification
SMILES
CCCCC1=C(C=CC(=C1)C(=O)OO)C(=O)OO
InChIKey
InChIKey=TVESFWUJTIDXTI-UHFFFAOYSA-N
Formula
C12H14O6
Mass
254.238
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
-
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
Peroxybenzoic acids and derivatives Benzoyl derivatives Peroxycarboxylic acids Organic hydroperoxides Peroxols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Para_phthalic_acid - Peroxybenzoate - Benzoyl - Peroxycarboxylic acid or derivatives - Peroxycarboxylic acid - Hydroperoxide - Peroxol - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - 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