Compound Identification
SMILES
[Na+].[Na+].CC1(CC[C@@]2(C)CC[C@]3(C)C(C=C[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C6=CC=CC=C6C([O-])=O)C(C)(C)C5CC[C@@]34C)=C2C1)OC(=O)C1=CC=CC=C1C([O-])=O
InChIKey
InChIKey=AJSSDNLDGGFMTQ-IWMGKMRCSA-L
Formula
C45H52Na2O8
Mass
766.883
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
Benzoic acids Benzoyl derivatives Carboxylic acid salts Carboxylic acid esters Carboxylic acids Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Benzoate ester - Benzoic acid - Benzoyl - Carboxylic acid ester - Carboxylic acid salt - Carboxylic acid derivative - Organic alkali metal salt - Carboxylic acid - Organic oxide - Organic sodium salt - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic salt - Organic cation - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available