Compound Identification
SMILES
[Cl-].[Cl-].COC1=C(OC)C=C2C3C4=CC(OC)=C(OC)C=C4CC[N+]3(CCCOC(=O)\C=C(/Cl)C(=O)OCCC[N+]34CCC5=CC(OC)=C(OC)C=C5C3C3=CC(OC)=C(OC)C=C3CC4)CCC2=C1
InChIKey
InChIKey=OUBHATFTNDTDFE-CQPVFNCISA-L
Formula
C52H63Cl3N2O12
Mass
1014.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Dibenzazecins
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Dibenzazecins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Dibenzazecins
Alternative Parents
Tetrahydroisoquinolines Anisoles Alkyl aryl ethers Aralkylamines Fatty acid esters Dicarboxylic acids and derivatives Vinylogous halides Tetraalkylammonium salts Alpha-halocarboxylic acid derivatives Enoate esters Vinyl chlorides Azacyclic compounds Chloroalkenes Carbonyl compounds Organochlorides Organic oxides Organic zwitterions Organic chloride salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzazecin - Tetrahydroisoquinoline - Anisole - Phenol ether - Fatty acid ester - Alkyl aryl ether - Aralkylamine - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Tetraalkylammonium salt - Quaternary ammonium salt - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous halide - Carboxylic acid ester - Vinyl halide - Vinyl chloride - Haloalkene - Chloroalkene - Azacycle - Carboxylic acid derivative - Ether - Organic chloride salt - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic oxide - Amine - Organic salt - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dibenzazecins. These are polycyclic aromatic compounds containing two benzene rings joined by an azecin ring.
External Descriptors
Not available