Compound Identification
SMILES
OC(=O)CCCCCCCCCCC1C(=S)S\C(=C/C2=CC(Br)=CC=C2)C1=O
InChIKey
InChIKey=JCLUVSMTXNMGHQ-CYVLTUHYSA-N
Formula
C22H27BrO3S2
Mass
483.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
-
Subclass
Fatty acids and conjugates
- Level 5 Long-chain fatty acids
-
Subclass
Fatty acids and conjugates
-
Class
Fatty Acyls
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Fatty Acyls
Subclass
Fatty acids and conjugates
Intermediate Tree Nodes
Not available
Direct Parent
Long-chain fatty acids
Alternative Parents
Heterocyclic fatty acids Halogenated fatty acids Bromobenzenes Thiolane-2-thiones Aryl bromides Carbodithiolactones Dithiocarboxylic acid esters Cyclic ketones Monocarboxylic acids and derivatives Carboxylic acids Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Long-chain fatty acid - Bromobenzene - Halobenzene - Halogenated fatty acid - Heterocyclic fatty acid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Thiolane-2-thione - Carbodithiolactone - Thiolane - Dithiocarboxylic acid ester - Cyclic ketone - Ketone - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Dithiocarboxylic acid or derivatives - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organosulfur compound - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
External Descriptors
Not available