Compound Identification
SMILES
[Ti+3].C[O-].C[O-].CC1=[C-]C(C)(C)C(C)=C1C.OC(=O)C1=CC=CC2=CC=CC=C12
InChIKey
InChIKey=CBXAAUVWCQIBTA-UHFFFAOYSA-N
Formula
C23H29O4Ti
Mass
417.348
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Naphthalenes
-
Subclass
Naphthalenecarboxylic acids and derivatives
- Level 5 Naphthalenecarboxylic acids
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Subclass
Naphthalenecarboxylic acids and derivatives
-
Class
Naphthalenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Naphthalenecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Naphthalenecarboxylic acids
Alternative Parents
Bicyclic monoterpenoids Aromatic monoterpenoids Branched unsaturated hydrocarbons Organic transition metal salts Monocarboxylic acids and derivatives Cycloalkenes Carboxylic acids Unsaturated aliphatic hydrocarbons Organic oxides Hydrocarbon derivatives Alkoxides Organic cations
Molecular Framework
Not available
Substituents
1-naphthalenecarboxylic acid - Aromatic monoterpenoid - Bicyclic monoterpenoid - Monoterpenoid - Branched unsaturated hydrocarbon - Carboxylic acid derivative - Carboxylic acid - Cyclic olefin - Cycloalkene - Monocarboxylic acid or derivatives - Organic transition metal salt - Olefin - Organic oxide - Unsaturated hydrocarbon - Organic oxygen compound - Organooxygen compound - Alkoxide - Organic salt - Unsaturated aliphatic hydrocarbon - Hydrocarbon derivative - Hydrocarbon - Organic cation - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as naphthalenecarboxylic acids. These are compounds containing a naphthalene moiety, which bears a carboxylic acid group one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
External Descriptors
Not available