4-[2-[3-bromanyl-5-chloranyl-2-(2-oxidanyl-2-phenyl-ethoxy)phenyl]ethyl]benzoic acid

Systemtic Name: 4-[2-[3-bromanyl-5-chloranyl-2-(2-oxidanyl-2-phenyl-ethoxy)phenyl]ethyl]benzoic acid Openeye Name: 4-[2-[3-bromo-5-chloro-2-(2-hydroxy-2-phenyl-ethoxy)phenyl]ethyl]benzoic acid CAS Name: 4-[2-[3-bromo-5-chloro-2-(2-hydroxy-2-phenylethoxy)phenyl]ethyl]benzoic acid IUPAC Name: 4-[2-[3-bromo-5-chloro-2-(2-hydroxy-2-phenylethoxy)phenyl]ethyl]benzoic acid Traditional Name: 4-[2-[3-bromo-5-chloro-2-(2-hydroxy-2-phenyl-ethoxy)phenyl]ethyl]benzoic acid Formula: C23H20BrClO4 MolecularWeight: 475.7595

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(COC2=C(C=C(C=C2CCC3=CC=C(C=C3)C(=O)O)Cl)Br)O

Isomeric SMILES

C1=CC=C(C=C1)C(COC2=C(C=C(C=C2CCC3=CC=C(C=C3)C(=O)O)Cl)Br)O

InChI

InChI=1S/C23H20BrClO4/c24-20-13-19(25)12-18(11-8-15-6-9-17(10-7-15)23(27)28)22(20)29-14-21(26)16-4-2-1-3-5-16/h1-7,9-10,12-13,21,26H,8,11,14H2,(H,27,28)