Compound Identification
SMILES
CCCCO[C@H]1[C@@H]2[C@@H]([C@H](OCCCC)[C@@H]3CCCC[C@@H]13)C1=NC3=C4C(=C(N3)N=C3N=C(N=C5NC(=NC2=N1)C1=C(OCCCC)C2=CC=CC=C2C(OCCCC)=C51)C1=C(OCCCC)C2=CC=CC=C2C(OCCCC)=C31)C(OCCCC)=C1CCCCC1=C4OCCCC
InChIKey
InChIKey=JRDIPNGFGBACGY-UXJCMHLYSA-N
Formula
C80H104N8O8
Mass
1305.76
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
Naphthalenes Isoindoles Phenol ethers Alkyl aryl ethers Pyrroles Heteroaromatic compounds Dialkyl ethers Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Naphthalene - Tetralin - Isoindole - Isoindole or derivatives - Phenol ether - Alkyl aryl ether - Heteroaromatic compound - Pyrrole - Organoheterocyclic compound - Ether - Dialkyl ether - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen 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