Compound Identification
SMILES
OC(=O)COC1=C2CC3=CC(=CC(CC4=C(OCC(O)=O)C(CC5=C(O)C(CC1=CC=C2)=CC(=C5)C1=CC(=CC=C1)[N+]([O-])=O)=CC=C4)=C3O)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=XDHJZNKHKXYMDN-UHFFFAOYSA-N
Formula
C44H34N2O12
Mass
782.758
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenoxyacetic acid derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenoxyacetic acid derivatives
Alternative Parents
Nitrobenzenes Phenol ethers Nitroaromatic compounds Phenols Alkyl aryl ethers Dicarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboxylic acids Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Phenoxyacetate - Nitrobenzene - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Phenol - Dicarboxylic acid or derivatives - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Carboxylic acid - Ether - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic salt - Organic oxygen compound - Carbonyl group - Organic cation - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
External Descriptors
Not available