Compound Identification
SMILES
CCC1=CC(=CC(CC)=C1OS(=O)(=O)C1=C(C=C(C=C1)C1=C(CC(=O)C2=CC=CC=C2)C(=CS1)C(O)=O)C(O)=O)C1=C2C(C)=C(C)SC2=C(Br)C2=CC=CC=C12
InChIKey
InChIKey=RXAJZXGWTNGFGP-UHFFFAOYSA-N
Formula
C44H35BrO8S3
Mass
867.84
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
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
-
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 - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Naphthothiophenes Benzenesulfonate esters 1-benzothiophenes Arylsulfonic acids and derivatives Benzenesulfonyl compounds Benzoic acids Thiophene carboxylic acids Phenoxy compounds Aryl alkyl ketones Benzoyl derivatives Organosulfonic acid esters Aryl bromides Sulfonyls Heteroaromatic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Naphthothiophene - Benzenesulfonate ester - Naphthalene - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzoic acid or derivatives - 1-benzothiophene - Benzenesulfonyl group - Benzoic acid - Benzothiophene - Phenoxy compound - Benzoyl - Aryl alkyl ketone - Thiophene carboxylic acid - Thiophene carboxylic acid or derivatives - Organosulfonic acid ester - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Thiophene - Sulfonyl - Heteroaromatic compound - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Organosulfur compound - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available