Compound Identification
SMILES
OS(O)(=O)=O.CN(C)C(=O)COC1=CC2=C(CC[C@@H](C2)NC[C@H](O)C2=CC(CCO)=C(O)C=C2)C=C1.CN(C)C(=O)COC1=CC2=C(CC[C@@H](C2)NC[C@H](O)C2=CC(CCO)=C(O)C=C2)C=C1
InChIKey
InChIKey=VPCOODFYDJWLHD-YMZXMBPUSA-N
Formula
C48H66N4O14S
Mass
955.13
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
Phenol ethers 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Aralkylamines Organic sulfuric acids Benzene and substituted derivatives Tertiary carboxylic acid amides 1,2-aminoalcohols Amino acids and derivatives Secondary alcohols Dialkylamines Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols Primary alcohols
Molecular Framework
Not available
Substituents
Tetralin - Phenol ether - Sulfuric acid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Aralkylamine - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Organic sulfuric acid or derivatives - Secondary alcohol - 1,2-aminoalcohol - Amino acid or derivatives - Carboxamide group - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Aromatic alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Alcohol - 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