Compound Identification
SMILES
[Ti++].C1CCCC1.C1CCCC1.CCOC(=O)C1(CC([CH2-])C(C1)=[C-]C1=CC=CC=C1)C(=O)OCC
InChIKey
InChIKey=GAFFLDLJBFEYEN-UHFFFAOYSA-N
Formula
C29H42O4Ti
Mass
502.518
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzene and substituted derivatives
Alternative Parents
Dicarboxylic acids and derivatives Carboxylic acid esters Organic transition metal salts Cycloalkanes Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Not available
Substituents
Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Cycloalkane - Organic transition metal salt - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organic salt - Hydrocarbon - Saturated hydrocarbon - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
External Descriptors
Not available