Structure Information
Structure

Compound Identification

SMILES

CCC(=CC1=[N+](CCCCS([O-])(=O)=O)C2=C(O1)C=CC(=C2)C1=CC=CC=C1)C=C1OC2=C(C=C(C=C2)C2=CC=CC=C2)N1CCCCS(O)(=O)=O

InChIKey

InChIKey=PNBPXAZPFGEQNX-UHFFFAOYSA-N

Formula

C39H40N2O8S2

Mass

728.88

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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

Benzoxazoline - Benzoxazole - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Oxazole - Azole - Ketene acetal or derivatives - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - 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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