4-[3-[3-bromanyl-5-chloranyl-2-[2-(3,5-dimethoxyphenyl)ethyl]phenyl]propyl]benzoic acid

Systemtic Name: 4-[3-[3-bromanyl-5-chloranyl-2-[2-(3,5-dimethoxyphenyl)ethyl]phenyl]propyl]benzoic acid Openeye Name: 4-[3-[3-bromo-5-chloro-2-[2-(3,5-dimethoxyphenyl)ethyl]phenyl]propyl]benzoic acid CAS Name: 4-[3-[3-bromo-5-chloro-2-[2-(3,5-dimethoxyphenyl)ethyl]phenyl]propyl]benzoic acid IUPAC Name: 4-[3-[3-bromo-5-chloro-2-[2-(3,5-dimethoxyphenyl)ethyl]phenyl]propyl]benzoic acid Traditional Name: 4-[3-[3-bromo-5-chloro-2-[2-(3,5-dimethoxyphenyl)ethyl]phenyl]propyl]benzoic acid Formula: C26H26BrClO4 MolecularWeight: 517.83924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CCC2=C(C=C(C=C2CCCC3=CC=C(C=C3)C(=O)O)Cl)Br)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CCC2=C(C=C(C=C2CCCC3=CC=C(C=C3)C(=O)O)Cl)Br)OC

InChI

InChI=1S/C26H26BrClO4/c1-31-22-12-18(13-23(16-22)32-2)8-11-24-20(14-21(28)15-25(24)27)5-3-4-17-6-9-19(10-7-17)26(29)30/h6-7,9-10,12-16H,3-5,8,11H2,1-2H3,(H,29,30)