Compound Identification
SMILES
OC(=O)\C=C/C([O-])=O.COC1=CC(OCCN[NH3+])=CC=C1
InChIKey
InChIKey=GKDTZVKAOLRFPQ-BTJKTKAUSA-N
Formula
C13H18N2O6
Mass
298.295
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenol ethers
- Subclass Anisoles
-
Class
Phenol ethers
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol ethers
Subclass
Anisoles
Intermediate Tree Nodes
Not available
Direct Parent
Anisoles
Alternative Parents
Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Unsaturated fatty acids Dicarboxylic acids and derivatives Carboxylic acid salts Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Not available
Substituents
Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Fatty acyl - Fatty acid - Dicarboxylic acid or derivatives - Unsaturated fatty acid - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Ether - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
External Descriptors
Not available