3-[[4-(4-bromophenyl)phenoxy]methyl]-5-methyl-2-oxidanyl-benzoic acid

Systemtic Name: 3-[[4-(4-bromophenyl)phenoxy]methyl]-5-methyl-2-oxidanyl-benzoic acid Openeye Name: 3-[[4-(4-bromophenyl)phenoxy]methyl]-2-hydroxy-5-methyl-benzoic acid CAS Name: 3-[[4-(4-bromophenyl)phenoxy]methyl]-2-hydroxy-5-methylbenzoic acid IUPAC Name: 3-[[4-(4-bromophenyl)phenoxy]methyl]-2-hydroxy-5-methylbenzoic acid Traditional Name: 3-[[4-(4-bromophenyl)phenoxy]methyl]-2-hydroxy-5-methyl-benzoic acid Formula: C21H17BrO4 MolecularWeight: 413.26128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)O)O)COC2=CC=C(C=C2)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)O)O)COC2=CC=C(C=C2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H17BrO4/c1-13-10-16(20(23)19(11-13)21(24)25)12-26-18-8-4-15(5-9-18)14-2-6-17(22)7-3-14/h2-11,23H,12H2,1H3,(H,24,25)