Compound Identification
SMILES
[Ti].OC(=[OH+])C1=CC=C([OH2+])C=C1.[OH2+]C1=CC=C(C=C1)C([O-])=O.CC(=[OH+])[CH-]C(=[OH+])C1=CC=CC=C1.CC(=[OH+])[CH-]C(=[OH+])C1=CC=CC=C1
InChIKey
InChIKey=NJSFAKDGVNAFFE-UHFFFAOYSA-T
Formula
C34H36O10Ti
Mass
652.517
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Butyrophenones
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Butyrophenones
Intermediate Tree Nodes
Not available
Direct Parent
Butyrophenones
Alternative Parents
Hydroxybenzoic acid derivatives Benzoic acids Benzoyl derivatives Aryl ketones 1-hydroxy-2-unsubstituted benzenoids Carboxylic acid salts Organic transition metal salts Enolates Carboxylic acids Carboximidic acids Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
Butyrophenone - Hydroxybenzoic acid - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Carboxylic acid salt - Organic transition metal salt - Carboximidic acid - Carboxylic acid derivative - Enolate - Carboxylic acid - Organic oxygen compound - Organic oxide - Organooxygen compound - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as butyrophenones. These are compounds containing 1-phenylbutan-1-one moiety.
External Descriptors
Not available