Compound Identification
SMILES
OC(=O)CCCCC(O)=O.OC(=O)C1=CC2=C(C=C1)C(=O)OC2=O.CC(C)(C)C1=CC=C(C=C1)C(=O)OCC(C)(C)CO
InChIKey
InChIKey=SHKMPTFQIOVGEJ-UHFFFAOYSA-N
Formula
C31H38O12
Mass
602.633
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzofurans
-
Subclass
Benzofuranones
- Level 5 Phthalic anhydrides
-
Subclass
Benzofuranones
-
Class
Benzofurans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzofurans
Subclass
Benzofuranones
Intermediate Tree Nodes
Not available
Direct Parent
Phthalic anhydrides
Alternative Parents
Isobenzofuranones Benzoic acid esters Phenylpropanes Medium-chain fatty acids Benzoyl derivatives Dicarboxylic acids and derivatives Carboxylic acid anhydrides Carboxylic acid esters Oxacyclic compounds Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Phthalic_anhydride - Phthalic anhydride - Benzoate ester - Isobenzofuranone - Benzoic acid or derivatives - Isocoumaran - Phenylpropane - Benzoyl - Medium-chain fatty acid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Fatty acid - Benzenoid - Carboxylic acid anhydride - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Primary alcohol - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phthalic anhydrides. These are compounds containing a phthalic anhydride moiety (or a derivative thereof), which consists of a benzene fused to a furan-1,3-dione.
External Descriptors
Not available