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Structure Information
Structure

Compound Identification

SMILES

CC\C(=C/C1=[N+](CCCS([O-])(=O)=O)C2=C(O1)C=CC(=C2)C1=CC=CS1)\C=C1/OC2=C(C=C(C=C2)C2=CC=CS2)N1CCCS([O-])(=O)=O

InChIKey

InChIKey=DTSQMZPHXXQJEM-UHFFFAOYSA-M

Formula

C33H31N2O8S4

Mass

711.86

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzoxazolines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzoxazolines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzoxazole - Benzoxazoline - Benzenoid - Azole - Heteroaromatic compound - Oxazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Alkanesulfonic acid - Thiophene - Sulfonyl - Ketene acetal or derivatives - Oxacycle - Azacycle - Amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzoxazolines. These are organic compounds containing a benzene ring fused to an oxazoline ring. Oxazoline is five-membered unsaturated ring with a nitrogen atom and an oxygen atom at the 1- and 3-position, respectively. Additionally, it contains two double bonds.

External Descriptors

Not available

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