3-(4-bromanylphenoxy)-3-(2-oxidanylpropoxy)-2-phenyl-2-propan-2-yloxy-propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(C1=CC=CC=C1)(C(OCC(C)O)OC2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC(C)OC(C1=CC=CC=C1)(C(OCC(C)O)OC2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C21H25BrO6/c1-14(2)28-21(19(24)25,16-7-5-4-6-8-16)20(26-13-15(3)23)27-18-11-9-17(22)10-12-18/h4-12,14-15,20,23H,13H2,1-3H3,(H,24,25)