Structure Information
Structure

Compound Identification

SMILES

CCCCOC(=O)C1=CC(=CC(=C1)N1N=C(CCCC)C(C#N)=C1NN=C1C(=N)N(N=C1C(C)C)C1=NC(=NC(OCCCC)=N1)N1N=C(C(C)C)C(=NNC2=C(C#N)C(CCCC)=NN2C2=CC(=CC(=C2)C(=O)OCCCC)C(=O)OCCCC)C1=N)C(=O)OCCCC

InChIKey

InChIKey=VRJOPJQTEITKSZ-UHFFFAOYSA-N

Formula

C67H87N19O9

Mass

1302.557

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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 heteromonocyclic compounds

Substituents

Meta-phthalic acid ester - Meta_phthalic_acid - Phenylpyrazole - Benzoate ester - Alkoxy-s-triazine - Benzoyl - Alkyl aryl ether - Amino-1,3,5-triazine - 1,3,5-triazine - Imidolactam - Triazine - Azole - Heteroaromatic compound - Pyrazoline - Pyrazole - Carboxylic acid ester - Nitrile - Carbonitrile - Azacycle - Hydrazone - Ether - Carboxylic acid derivative - Amidine - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Aromatic heteromonocyclic 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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