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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Cyclohexylphenols
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Cyclohexylphenols
Intermediate Tree Nodes
Not available
Direct Parent
Cyclohexylphenols
Alternative Parents
Phenylpyrrolidines Methoxyphenols Isoindolones 1-benzothiophenes Nitrobenzenes Nitroaromatic compounds Anisoles O-bromophenols Phenoxy compounds Methoxybenzenes M-bromophenols Alkyl aryl ethers Bromobenzenes N-substituted carboxylic acid imides Aryl bromides Aryl chlorides Pyrrolidine-2-ones Thiophenes Pyrroles Pyrazoles Dicarboximides Heteroaromatic compounds Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organobromides Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds Organochlorides Organic zwitterions Organic salts Organic oxides
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