Compound Identification
SMILES
CCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC1=CC(C)=C2C(CSCC3=CC(OC(=O)C4=CC=C(OCCCCCCCCCCCC)C=C4)=CC(C)=C23)=C1
InChIKey
InChIKey=ADXJEFPBKUVKET-UHFFFAOYSA-N
Formula
C54H72O6S
Mass
849.22
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiepins
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiepins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiepins
Alternative Parents
Phenol esters Benzoic acid esters Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Carboxylic acid esters Dialkylthioethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiepin - Benzoate ester - Phenol ester - Benzoic acid or derivatives - Phenoxy compound - Phenol ether - Benzoyl - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Dialkylthioether - Thioether - Carboxylic acid derivative - Ether - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiepins. These are organic compounds containing a benzene fused to a thiepine ring (a seven-membered ring with six carbon atoms and one sulfur atom).
External Descriptors
Not available