3-(5-chloranyl-2-methyl-phenoxy)-3-(2-oxidanylpropoxy)-2-phenyl-2-propan-2-yloxy-propanoic acid

Systemtic Name: 3-(5-chloranyl-2-methyl-phenoxy)-3-(2-oxidanylpropoxy)-2-phenyl-2-propan-2-yloxy-propanoic acid Openeye Name: 3-(5-chloro-2-methyl-phenoxy)-3-(2-hydroxypropoxy)-2-isopropoxy-2-phenyl-propanoic acid CAS Name: 3-(5-chloro-2-methylphenoxy)-3-(2-hydroxypropoxy)-2-phenyl-2-propan-2-yloxypropanoic acid IUPAC Name: 3-(5-chloro-2-methylphenoxy)-3-(2-hydroxypropoxy)-2-phenyl-2-propan-2-yloxypropanoic acid Traditional Name: 3-(5-chloro-2-methyl-phenoxy)-3-(2-hydroxypropoxy)-2-isopropoxy-2-phenyl-propionic acid Formula: C22H27ClO6 MolecularWeight: 422.89918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)OC(C(C2=CC=CC=C2)(C(=O)O)OC(C)C)OCC(C)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)OC(C(C2=CC=CC=C2)(C(=O)O)OC(C)C)OCC(C)O

InChI

InChI=1S/C22H27ClO6/c1-14(2)29-22(20(25)26,17-8-6-5-7-9-17)21(27-13-16(4)24)28-19-12-18(23)11-10-15(19)3/h5-12,14,16,21,24H,13H2,1-4H3,(H,25,26)