Compound Identification
SMILES
[Na+].[Na+].C=O.C1CO1.[O-]C(=O)C1=CC=CC=C1.OC(=O)CC(C([O-])=O)S(O)(=O)=O.CCCCCCCCCC1=CC=C(O)C=C1
InChIKey
InChIKey=VCCOJJWYQYABBJ-UHFFFAOYSA-L
Formula
C29H40Na2O12S
Mass
658.67
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acids
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Subclass
Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
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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 acids
Alternative Parents
Benzoyl derivatives Thia fatty acids 1-hydroxy-2-unsubstituted benzenoids Dicarboxylic acids and derivatives Sulfonyls Organosulfonic acids Alkanesulfonic acids Carboxylic acid salts Oxacyclic compounds Epoxides Dialkyl ethers Carboxylic acids Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Benzoic acid - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Thia fatty acid - Phenol - Fatty acyl - Fatty acid - Dicarboxylic acid or derivatives - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid salt - Oxacycle - Organic alkali metal salt - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organosulfur compound - Organooxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
External Descriptors
Not available