Compound Identification
SMILES
ClCC1CO1.O=C1OC(=O)C2=CC=CC=C12.OC(=O)C1=CC(=CC=C1)C(O)=O
InChIKey
InChIKey=FRIAWDCGHSZUIZ-UHFFFAOYSA-N
Formula
C19H15ClO8
Mass
406.77
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
-
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
Phthalic anhydrides Isobenzofuranones Benzoic acids Benzoyl derivatives Dicarboxylic acids and derivatives Carboxylic acid anhydrides Oxacyclic compounds Epoxides Dialkyl ethers Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Not available
Substituents
Meta_phthalic_acid - Phthalic anhydride - Phthalic_anhydride - Benzofuranone - Isobenzofuranone - Benzoic acid - Isocoumaran - Benzoyl - Dicarboxylic acid or derivatives - Carboxylic acid anhydride - Organoheterocyclic compound - Ether - Oxirane - Oxacycle - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organochloride - Organohalogen compound - Alkyl chloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Organooxygen compound - 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