Compound Identification
SMILES
[Ti].CC(C)O.CC(C)O.CC1=CC(=O)C2=C(C=CC=C2O)C1=O.CC1=CC(=O)C2=C(C=CC=C2O)C1=O
InChIKey
InChIKey=YSNPYMMZUIJPFD-UHFFFAOYSA-N
Formula
C28H32O8Ti
Mass
544.423
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Naphthalenes
- Subclass Naphthoquinones
-
Class
Naphthalenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Naphthoquinones
Intermediate Tree Nodes
Not available
Direct Parent
Naphthoquinones
Alternative Parents
Quinones Aryl ketones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Secondary alcohols Organic transition metal salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Naphthoquinone - Aryl ketone - Quinone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Vinylogous acid - Ketone - Secondary alcohol - Organic transition metal salt - Alcohol - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as naphthoquinones. These are compounds containing a naphthohydroquinone moiety, which consists of a benzene ring linearly fused to a bezene-1,4-dione (quinone).
External Descriptors
Not available