Compound Identification
SMILES
CCC(=O)N(CC1=CC2=C(OCO2)C=C1)C1CC(=CC(OC2=C(OC)C=C(C=O)C=C2I)C1O)C(=O)NCCO
InChIKey
InChIKey=YPUAUIZYLYJGJX-UHFFFAOYSA-N
Formula
C28H31IN2O9
Mass
666.465
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzodioxoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodioxoles
Alternative Parents
Anisoles Benzaldehydes Benzoyl derivatives Methoxybenzenes N-acylethanolamines Phenoxy compounds Alkyl aryl ethers Iodobenzenes Aryl iodides Tertiary carboxylic acid amides Secondary alcohols Secondary carboxylic acid amides Oxacyclic compounds Acetals Organopnictogen compounds Organoiodides Organic oxides Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Anisole - Benzaldehyde - Benzoyl - N-acylethanolamine - Phenol ether - Methoxybenzene - Phenoxy compound - Aryl-aldehyde - Alkyl aryl ether - Halobenzene - Iodobenzene - Benzenoid - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Oxacycle - Acetal - Carboxylic acid derivative - Ether - Alkanolamine - Carbonyl group - Aldehyde - Organic nitrogen compound - Organonitrogen compound - Alcohol - Organooxygen compound - Primary alcohol - Organic oxygen compound - Organoiodide - Organopnictogen compound - Organic oxide - Organohalogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
External Descriptors
Not available