Structure Information
Structure

Compound Identification

SMILES

COC1=C(O)C(Br)=C(Br)C(=C1)C1C2=CCC3C(C2CC2C(=O)N(C(=O)C12C)C1=CC(=NN1C)C1=C(C)C2=C(S1)C=CC(Cl)=C2)C(=O)N(C3=O)C1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=KKLLWZCXRLTUIQ-UHFFFAOYSA-N

Formula

C41H32Br2ClN5O8S

Mass

950.05

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Cyclohexylphenols

Intermediate Tree Nodes

Not available

Direct Parent

Cyclohexylphenols

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cyclohexylphenol - 1-phenylpyrrolidine - Methoxyphenol - Isoindolone - Nitrobenzene - Isoindole or derivatives - Isoindoline - 1-benzothiophene - Benzothiophene - 3-bromophenol - Phenoxy compound - 2-bromophenol - Nitroaromatic compound - Anisole - 2-halophenol - 3-halophenol - Phenol ether - Methoxybenzene - Bromobenzene - Phenol - Halobenzene - Alkyl aryl ether - 2-pyrrolidone - Pyrrolidone - Aryl halide - Aryl bromide - Aryl chloride - Carboxylic acid imide, n-substituted - Azole - Pyrrolidine - Pyrrole - Pyrazole - Thiophene - Dicarboximide - Heteroaromatic compound - Carboxylic acid imide - Organic nitro compound - C-nitro compound - Lactam - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic zwitterion - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organobromide - Organic salt - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cyclohexylphenols. These are compounds containing a cyclohexane lined to a phenol group.

External Descriptors

Not available

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