Structure Information
Structure

Compound Identification

SMILES

CC\C(=C/C1=[N+](CCCS(O)(=O)=O)C2=C(O1)C=CC(=C2)C1=CSC=C1)\C=C1/OC2=C(C=C(Cl)C=C2)N1CCCS(O)(=O)=O

InChIKey

InChIKey=ZNPPVKXIARQOAG-UHFFFAOYSA-O

Formula

C29H30ClN2O8S3

Mass

666.19

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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 - Aryl chloride - Aryl halide - Benzenoid - Azole - Oxazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Thiophene - Alkanesulfonic acid - Heteroaromatic compound - Ketene acetal or derivatives - Azacycle - Oxacycle - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organic oxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Organohalogen compound - 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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