Compound Identification
SMILES
[Na+].COC1=C(OCC2=CC=CC=N2)C(C2=CC=C(F)C=C2)=C(\C=C\C(O)CC(O)CC([O-])=O)C(=C1)C(C)C
InChIKey
InChIKey=ADWMDGZMQGPENO-CALJPSDSSA-M
Formula
C29H31FNNaO6
Mass
531.556
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
Cinnamyl alcohols Medium-chain hydroxy acids and derivatives Cumenes Phenylpropanes Medium-chain fatty acids Methoxybenzenes Styrenes Anisoles Phenoxy compounds Beta hydroxy acids and derivatives Hydroxy fatty acids Fluorobenzenes Alkyl aryl ethers Aryl fluorides Unsaturated fatty acids Pyridines and derivatives Heteroaromatic compounds Carboxylic acid salts Secondary alcohols Azacyclic compounds Carboxylic acids Organic metal halides Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Organic sodium salts Organofluorides Organic zwitterions Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Biphenyl - Cinnamyl alcohol - Cumene - Medium-chain hydroxy acid - Phenylpropane - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Styrene - Medium-chain fatty acid - Alkyl aryl ether - Beta-hydroxy acid - Fluorobenzene - Halobenzene - Hydroxy fatty acid - Aryl fluoride - Aryl halide - Hydroxy acid - Fatty acyl - Fatty acid - Pyridine - Unsaturated fatty acid - Heteroaromatic compound - Secondary alcohol - Carboxylic acid salt - Organic metal halide - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Organic alkali metal salt - Azacycle - Ether - Organic zwitterion - Organic oxygen compound - Hydrocarbon derivative - Organic sodium salt - Organohalogen compound - Carbonyl group - Organic oxide - Alcohol - Organofluoride - Organic nitrogen compound - Organonitrogen compound - Organic salt - Organooxygen compound - Aromatic heteromonocyclic 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