Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Phenol ethers

Subclass

Anisoles

Intermediate Tree Nodes

Not available

Direct Parent

Anisoles

Alternative Parents

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

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