Chemical Component Summary

Name(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACID
Synonyms(4-(4-(2-(4-CHLOROPHENYL)ETHYNYL)PHENYL))-3-HEXYL-4-OXOBUTANOIC ACID
Identifiers(3R)-3-[4-[2-(4-chlorophenyl)ethynyl]phenyl]carbonylnonanoic acid
FormulaC24 H25 Cl O3
Molecular Weight396.907
TypeNON-POLYMER
Isomeric SMILESCCCCCC[C@H](CC(=O)O)C(=O)c1ccc(cc1)C#Cc2ccc(cc2)Cl
InChIInChI=1S/C24H25ClO3/c1-2-3-4-5-6-21(17-23(26)27)24(28)20-13-9-18(10-14-20)7-8-19-11-15-22(25)16-12-19/h9-16,21H,2-6,17H2,1H3,(H,26,27)/t21-/m1/s1
InChIKeyUOBFNJXLVSPHNN-OAQYLSRUSA-N

Chemical Details

Formal Charge0
Atom Count53
Chiral Atom Count1
Bond Count54
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 17754243