Compound Identification
SMILES
[Br-].COC1=C2OCCC2=C(C=C1)C(=O)NC1=C(Cl)C=NC=C1Cl.C[N+]1(C)C2CC(CC1[C@@H]1O[C@H]21)OC(=O)C(O)(C1=CC=CS1)C1=CC=CS1
InChIKey
InChIKey=KXNYPIQEVQSYAE-XMPVXWCESA-M
Formula
C34H34BrCl2N3O7S2
Mass
811.58
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Coumarans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Coumarans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarans
Alternative Parents
Polyhalopyridines Anisoles Alkyl aryl ethers Piperidines Aryl chlorides N-alkylpyrrolidines Morpholines Thiophenes Tetraalkylammonium salts Tertiary alcohols Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Dialkyl ethers Epoxides Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Amines Organochlorides Aromatic alcohols Organic bromide salts Hydrocarbon derivatives Organic zwitterions
Molecular Framework
Not available
Substituents
Coumaran - Anisole - Phenol ether - Polyhalopyridine - Alkyl aryl ether - Pyridine - Piperidine - N-alkylpyrrolidine - Aryl chloride - Benzenoid - Oxazinane - Morpholine - Aryl halide - Tertiary alcohol - Thiophene - Pyrrolidine - Tetraalkylammonium salt - Heteroaromatic compound - Quaternary ammonium salt - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Oxacycle - Carboxylic acid derivative - Azacycle - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Organic bromide salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Alcohol - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic salt - Organic zwitterion - Aromatic alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarans. These are compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 2,3-dihydrofuran ring.
External Descriptors
Not available