Structure Information
Structure

Compound Identification

SMILES

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C1(NC2=C(O1)C=CC=C2S(O)(=O)=O)S(O)(=O)=O

InChIKey

InChIKey=MBEFOVLXAUDGCR-UHFFFAOYSA-N

Formula

C20H20N2O9S2

Mass

496.51

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Coumarins and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Coumarin - Benzopyran - 1-benzopyran - Arylsulfonic acid or derivatives - Benzoxazoline - 1-sulfo,2-unsubstituted aromatic compound - Dialkylarylamine - Pyranone - Secondary aliphatic/aromatic amine - Pyran - Benzenoid - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Lactone - Tertiary amine - Secondary amine - Azacycle - Oxacycle - Organoheterocyclic compound - Amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).

External Descriptors

Not available

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