Structure Information
Structure

Compound Identification

SMILES

CC(C)C1=C(C)C2=C(O)C(CC3=CC(=CC(CC4=CC(C(C)C)=C(C)C(CC5=C(O)C(C2)=CC(Cl)=C5C)=C4O)=C3O)[N+]([O-])=O)=C1

InChIKey

InChIKey=URXKDHRBDGSONI-UHFFFAOYSA-N

Formula

C37H40ClNO6

Mass

630.18

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Cumenes

Intermediate Tree Nodes

Not available

Direct Parent

Cumenes

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Cumene - Nitroaromatic compound - 4-halophenol - Phenol - Aryl chloride - Aryl halide - Organic nitro compound - C-nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Polyol - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic salt - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.

External Descriptors

Not available

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