Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)OC(=O)C1=CC(=CC(OCCCCCCCCCCC(=O)OCC2=CC=CC=C2[N+]([O-])=O)=C1)C(=O)OC(C)(C)C

InChIKey

InChIKey=UBCMZCNQJOCURF-UHFFFAOYSA-N

Formula

C34H47NO9

Mass

613.748

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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 - Phthalate esters

Direct Parent

m-Phthalate esters

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Meta-phthalic acid ester - Meta_phthalic_acid - Benzoate ester - Benzyloxycarbonyl - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Benzoyl - Phenol ether - Alkyl aryl ether - Fatty acid ester - Fatty acyl - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Carboxylic acid derivative - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxygen compound - Organic salt - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as m-phthalate esters. These are ester derivatives of m-phthalic acids, which are based on a benzene 1,3-dicarboxylic acid skeleton.

External Descriptors

Not available

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