Compound Identification
SMILES
OC1CCCC2(O)CCC34OC3(C(O)C3=C(C(O)=CC=C3)C4=O)C12
InChIKey
InChIKey=PBQWAAHZOCZCMB-UHFFFAOYSA-N
Formula
C18H20O6
Mass
332.352
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
Aryl alkyl ketones Oxepanes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Polyols Oxacyclic compounds Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Tetralin - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Oxepane - Cyclic alcohol - Tertiary alcohol - Vinylogous acid - Ketone - Secondary alcohol - Dialkyl ether - Oxirane - Ether - Polyol - Oxacycle - Organoheterocyclic compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Aromatic heteropolycyclic 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