Compound Identification
SMILES
[Na+].[Na+].CC([O-])=O.CC(C)C1=C(O)C(C2=CC=C(F)C=C2)=C(C(C)C)C(OC[C@@H](O)C[C@@H](O)CC([O-])=O)=C1C(C)C
InChIKey
InChIKey=ZEEXPLFIZFMTMI-SXFSLILVSA-L
Formula
C29H39FNa2O8
Mass
580.601
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Biphenyls and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Biphenyls and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Biphenyls and derivatives
Alternative Parents
Monocyclic monoterpenoids Aromatic monoterpenoids Cumenes Medium-chain hydroxy acids and derivatives Phenylpropanes 4-alkoxyphenols Medium-chain fatty acids Phenol ethers Phenoxy compounds Alkyl aryl ethers Beta hydroxy acids and derivatives Hydroxy fatty acids Halogenated fatty acids Fluorobenzenes Aryl fluorides Acetate salts Secondary alcohols Organic metal halides Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Organic zwitterions Organofluorides
Molecular Framework
Not available
Substituents
Biphenyl - P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - 4-alkoxyphenol - Medium-chain hydroxy acid - Phenylpropane - Cumene - Phenoxy compound - Phenol ether - Medium-chain fatty acid - Alkyl aryl ether - Hydroxy fatty acid - Halogenated fatty acid - Halobenzene - Phenol - Beta-hydroxy acid - Fluorobenzene - Hydroxy acid - Aryl fluoride - Aryl halide - Fatty acyl - Fatty acid - Acetate salt - Carboxylic acid salt - Secondary alcohol - Monocarboxylic acid or derivatives - Organic metal halide - Organic alkali metal salt - Ether - Carboxylic acid derivative - Carboxylic acid - Organofluoride - Alcohol - Organic zwitterion - Carbonyl group - Organic salt - Organic sodium salt - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
External Descriptors
Not available