Compound Identification
SMILES
[Ti].CC(C)O.CC(C)CCCCCCCCCCCCCCC(O)=O.CCCCCCCCCCCCC1=CC(=CC=C1)S(O)(=O)=O.CCCCCCCCCCCCC1=CC(=CC=C1)S(O)(=O)=O
InChIKey
InChIKey=CXWHQNZURKNTKU-UHFFFAOYSA-N
Formula
C57H104O9S2Ti
Mass
1045.44
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
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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
Benzenesulfonic acids and derivatives Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Methyl-branched fatty acids Sulfonyls Organosulfonic acids Secondary alcohols Organic transition metal salts Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Long-chain fatty acid - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Branched fatty acid - Methyl-branched fatty acid - Monocyclic benzene moiety - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Secondary alcohol - Monocarboxylic acid or derivatives - Organic transition metal salt - Carboxylic acid - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic 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