Compound Identification
SMILES
CC1(C)C2CCC1(C)C(=O)C2S(O)(=O)=O.CCCCCN(CCCCC)CC(O)C1=CC2=C(C=C1)C=C(Br)C1=CC=CC=C21
InChIKey
InChIKey=JUTVGQLRNONHGK-UHFFFAOYSA-N
Formula
C36H50BrNO5S
Mass
688.76
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenanthrenes and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenanthrenes and derivatives
Alternative Parents
Aromatic monoterpenoids Bicyclic monoterpenoids Naphthalenes Aralkylamines Aryl bromides Alkanesulfonic acids Sulfonyls Organosulfonic acids Trialkylamines Secondary alcohols 1,2-aminoalcohols Ketones Hydrocarbon derivatives Aromatic alcohols Organobromides Organic oxides
Molecular Framework
Not available
Substituents
Phenanthrene - Naphthalene - Aromatic monoterpenoid - Norbornane monoterpenoid - Bornane monoterpenoid - Monoterpenoid - Aralkylamine - Aryl bromide - Aryl halide - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary alcohol - Tertiary amine - Ketone - Tertiary aliphatic amine - 1,2-aminoalcohol - Organic nitrogen compound - Organobromide - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Aromatic alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Alcohol - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
External Descriptors
Not available