Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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