3-[(2-bromophenyl)methoxy]-2-octoxy-benzoic acid

Systemtic Name: 3-[(2-bromophenyl)methoxy]-2-octoxy-benzoic acid Openeye Name: 3-[(2-bromophenyl)methoxy]-2-octoxy-benzoic acid CAS Name: 3-[(2-bromophenyl)methoxy]-2-octoxybenzoic acid IUPAC Name: 3-[(2-bromophenyl)methoxy]-2-octoxybenzoic acid Traditional Name: 3-(2-bromobenzyl)oxy-2-octoxy-benzoic acid Formula: C22H27BrO4 MolecularWeight: 435.35138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=CC=C1OCC2=CC=CC=C2Br)C(=O)O

Isomeric SMILES

CCCCCCCCOC1=C(C=CC=C1OCC2=CC=CC=C2Br)C(=O)O

InChI

InChI=1S/C22H27BrO4/c1-2-3-4-5-6-9-15-26-21-18(22(24)25)12-10-14-20(21)27-16-17-11-7-8-13-19(17)23/h7-8,10-14H,2-6,9,15-16H2,1H3,(H,24,25)