Compound Identification
SMILES
OC(=O)C=C.OCCCCCCO.OCCOC(=O)C=C.C=CC1=CC=CC=C1.CCCCOC(=O)C=C.CCC(CO)(CO)CO.OC(=O)CCCCC(O)=O.O=C1OC(=O)C2=CC=CC=C12.OC(=O)C1=CC(=CC=C1)C(O)=O
InChIKey
InChIKey=KESWMSNEXFVSOP-UHFFFAOYSA-N
Formula
C57H80O23
Mass
1133.244
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
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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
M-phthalic acid and derivatives
Alternative Parents
Phthalic anhydrides Isobenzofuranones Fatty alcohols Benzoic acids Styrenes Medium-chain fatty acids Benzoyl derivatives Dicarboxylic acids and derivatives Acrylic acid esters Enoate esters Carboxylic acid anhydrides Aromatic hydrocarbons Oxacyclic compounds Cyclic olefins Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Meta_phthalic_acid - Phthalic anhydride - Phthalic_anhydride - Isobenzofuranone - Benzofuranone - Isocoumaran - Fatty alcohol - Benzoic acid - Medium-chain fatty acid - Styrene - Benzoyl - Acrylic acid ester - Fatty acyl - Fatty acid - Dicarboxylic acid or derivatives - Aromatic hydrocarbon - Acrylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid anhydride - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Cyclic olefin - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Unsaturated hydrocarbon - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Olefin - Carbonyl group - Alcohol - Hydrocarbon - 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