Compound Identification
SMILES
COC1=CC=C(C=C1)C1=C(OC2=CC=C(OCCN3CCCCC3)C=C2)C2=C(S1)C=C(OC(=O)C(O[N+]([O-])=O)C(O[N+]([O-])=O)C(O)=O)C=C2
InChIKey
InChIKey=NKIZQWNKETUCHD-UHFFFAOYSA-N
Formula
C32H31N3O13S
Mass
697.67
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Ethers
- Level 5 Diarylethers
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Subclass
Ethers
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Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Ethers
Intermediate Tree Nodes
Not available
Direct Parent
Diarylethers
Alternative Parents
Phenol esters 1-benzothiophenes Anisoles Methoxybenzenes Phenoxy compounds Fatty acid esters Alkyl aryl ethers Monosaccharides Dicarboxylic acids and derivatives Piperidines Alkyl nitrates Thiophenes Heteroaromatic compounds Organic nitro compounds Organic nitric acids and derivatives Amino acids Carboxylic acid esters Trialkylamines Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Diaryl ether - Phenol ester - 1-benzothiophene - Benzothiophene - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Fatty acid ester - Piperidine - Monocyclic benzene moiety - Benzenoid - Monosaccharide - Fatty acyl - Dicarboxylic acid or derivatives - Thiophene - Heteroaromatic compound - Organic nitrate - Alkyl nitrate - Amino acid or derivatives - Amino acid - Carboxylic acid ester - Organic nitro compound - Organic nitric acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Organic oxide - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organic zwitterion - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
External Descriptors
Not available