Compound Identification
SMILES
[Ca++].CC#C[C@@H](CC([O-])=O)c1ccc(OCc2cccc(c2)-c2ccc(cc2)C(F)(F)F)cc1.CC#C[C@@H](CC([O-])=O)c1ccc(OCc2cccc(c2)-c2ccc(cc2)C(F)(F)F)cc1
InChIKey
InChIKey=WCZAHGONZBHQSA-HRQBZJEISA-L
Formula
C52H40CaF6O6
Mass
914.954
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
Phenylpropanoic acids Trifluoromethylbenzenes Phenoxy compounds Phenol ethers Medium-chain fatty acids Alkyl aryl ethers Halogenated fatty acids Unsaturated fatty acids Carboxylic acid salts Carboxylic acids Organic metal halides Organic calcium salts Monocarboxylic acids and derivatives Organofluorides Alkyl fluorides Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Not available
Substituents
Biphenyl - 3-phenylpropanoic-acid - Trifluoromethylbenzene - Phenoxy compound - Phenol ether - Medium-chain fatty acid - Alkyl aryl ether - Halogenated fatty acid - Fatty acyl - Fatty acid - Unsaturated fatty acid - Carboxylic acid salt - Organic calcium salt - Carboxylic acid derivative - Carboxylic acid - Ether - Organic metal halide - Monocarboxylic acid or derivatives - Organic salt - Alkyl halide - Organic oxygen compound - Alkyl fluoride - Carbonyl group - Organohalogen compound - Organofluoride - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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