3-[3-[3-(4-bromanylphenoxy)-2-oxidanyl-propoxy]phenyl]-2-propan-2-yloxy-propanoic acid

Systemtic Name: 3-[3-[3-(4-bromanylphenoxy)-2-oxidanyl-propoxy]phenyl]-2-propan-2-yloxy-propanoic acid Openeye Name: 3-[3-[3-(4-bromophenoxy)-2-hydroxy-propoxy]phenyl]-2-isopropoxy-propanoic acid CAS Name: 3-[3-[3-(4-bromophenoxy)-2-hydroxypropoxy]phenyl]-2-propan-2-yloxypropanoic acid IUPAC Name: 3-[3-[3-(4-bromophenoxy)-2-hydroxypropoxy]phenyl]-2-propan-2-yloxypropanoic acid Traditional Name: 3-[3-[3-(4-bromophenoxy)-2-hydroxy-propoxy]phenyl]-2-isopropoxy-propionic acid Formula: C21H25BrO6 MolecularWeight: 453.3236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(CC1=CC(=CC=C1)OCC(COC2=CC=C(C=C2)Br)O)C(=O)O

Isomeric SMILES

CC(C)OC(CC1=CC(=CC=C1)OCC(COC2=CC=C(C=C2)Br)O)C(=O)O

InChI

InChI=1S/C21H25BrO6/c1-14(2)28-20(21(24)25)11-15-4-3-5-19(10-15)27-13-17(23)12-26-18-8-6-16(22)7-9-18/h3-10,14,17,20,23H,11-13H2,1-2H3,(H,24,25)