3-[3-[3-(2-bromanyl-4-methyl-phenoxy)-2-oxidanyl-propoxy]phenyl]-2-propan-2-yloxy-propanoic acid

Systemtic Name: 3-[3-[3-(2-bromanyl-4-methyl-phenoxy)-2-oxidanyl-propoxy]phenyl]-2-propan-2-yloxy-propanoic acid Openeye Name: 3-[3-[3-(2-bromo-4-methyl-phenoxy)-2-hydroxy-propoxy]phenyl]-2-isopropoxy-propanoic acid CAS Name: 3-[3-[3-(2-bromo-4-methylphenoxy)-2-hydroxypropoxy]phenyl]-2-propan-2-yloxypropanoic acid IUPAC Name: 3-[3-[3-(2-bromo-4-methylphenoxy)-2-hydroxypropoxy]phenyl]-2-propan-2-yloxypropanoic acid Traditional Name: 3-[3-[3-(2-bromo-4-methyl-phenoxy)-2-hydroxy-propoxy]phenyl]-2-isopropoxy-propionic acid Formula: C22H27BrO6 MolecularWeight: 467.35018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrO6/c1-14(2)29-21(22(25)26)11-16-5-4-6-18(10-16)27-12-17(24)13-28-20-8-7-15(3)9-19(20)23/h4-10,14,17,21,24H,11-13H2,1-3H3,(H,25,26)