Compound Identification
SMILES
Cc1ccc(s1)C(=O)CC[I][NH3+]
InChIKey
InChIKey=METNHOCWABHFFR-UHFFFAOYSA-O
Formula
C8H12INOS
Mass
297.15
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
- Level 7 Aryl alkyl ketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones
Direct Parent
Aryl alkyl ketones
Alternative Parents
2,5-disubstituted thiophenes Heteroaromatic compounds Organoiodides Organic oxides Organic nitrogen compounds Hydrocarbon derivatives Alkyl iodides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl alkyl ketone - 2,5-disubstituted thiophene - Heteroaromatic compound - Thiophene - Organoheterocyclic compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organoiodide - Organohalogen compound - Alkyl iodide - Alkyl halide - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group.
External Descriptors
Not available