4-[2-[3-bromanyl-5-chloranyl-2-[(3-methylphenyl)methoxy]phenyl]ethyl]benzoic acid

Systemtic Name: 4-[2-[3-bromanyl-5-chloranyl-2-[(3-methylphenyl)methoxy]phenyl]ethyl]benzoic acid Openeye Name: 4-[2-[3-bromo-5-chloro-2-(m-tolylmethoxy)phenyl]ethyl]benzoic acid CAS Name: 4-[2-[3-bromo-5-chloro-2-[(3-methylphenyl)methoxy]phenyl]ethyl]benzoic acid IUPAC Name: 4-[2-[3-bromo-5-chloro-2-[(3-methylphenyl)methoxy]phenyl]ethyl]benzoic acid Traditional Name: 4-[2-[3-bromo-5-chloro-2-(3-methylbenzyl)oxy-phenyl]ethyl]benzoic acid Formula: C23H20BrClO3 MolecularWeight: 459.7601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC2=C(C=C(C=C2CCC3=CC=C(C=C3)C(=O)O)Cl)Br

Isomeric SMILES

CC1=CC(=CC=C1)COC2=C(C=C(C=C2CCC3=CC=C(C=C3)C(=O)O)Cl)Br

InChI

InChI=1S/C23H20BrClO3/c1-15-3-2-4-17(11-15)14-28-22-19(12-20(25)13-21(22)24)10-7-16-5-8-18(9-6-16)23(26)27/h2-6,8-9,11-13H,7,10,14H2,1H3,(H,26,27)