Compound Identification
SMILES
[Li+].CN(CC1CCC2=C(C=CC(OCC(C)(C)C)=C2)C1C1=CC=CC=C1)CC([O-])=O
InChIKey
InChIKey=KNMJXKVSQPKAFV-UHFFFAOYSA-M
Formula
C25H32LiNO3
Mass
401.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Tetralins
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Tetralins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Tetralins
Alternative Parents
Alpha amino acids Phenol ethers Aralkylamines Alkyl aryl ethers Benzene and substituted derivatives Trialkylamines Carboxylic acid salts Amino acids Organic lithium salts Monocarboxylic acids and derivatives Carboxylic acids Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Alpha-amino acid - Alpha-amino acid or derivatives - Tetralin - Phenol ether - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Amino acid or derivatives - Tertiary aliphatic amine - Amino acid - Tertiary amine - Carboxylic acid salt - Ether - Carboxylic acid derivative - Organic lithium salt - Carboxylic acid - Monocarboxylic acid or derivatives - Organic alkali metal salt - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Carbonyl group - Organic salt - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
External Descriptors
Not available