Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Butyrophenones

Intermediate Tree Nodes

Not available

Direct Parent

Butyrophenones

Alternative Parents

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

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