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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
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Level 5
Phthalic acid and derivatives
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Level 6
Phthalate esters
- Level 7 m-Phthalate esters
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Level 6
Phthalate esters
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Level 5
Phthalic acid and derivatives
-
Subclass
Benzoic acids and derivatives
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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 - Phthalate esters
Direct Parent
m-Phthalate esters
Alternative Parents
M-phthalic acid and derivatives Phenylpyrazoles Benzoic acid esters Alkoxy-S-triazines Benzoyl derivatives Alkyl aryl ethers Aminotriazines Imidolactams Pyrazolines Heteroaromatic compounds Carboxylic acid esters Hydrazones Azacyclic compounds Nitriles Amidines Hydrocarbon derivatives Organic oxides
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