3-(4-chloranyl-3-methyl-phenoxy)-3-(2-oxidanylpropoxy)-2-phenyl-2-propan-2-yloxy-propanoic acid

Systemtic Name: 3-(4-chloranyl-3-methyl-phenoxy)-3-(2-oxidanylpropoxy)-2-phenyl-2-propan-2-yloxy-propanoic acid Openeye Name: 3-(4-chloro-3-methyl-phenoxy)-3-(2-hydroxypropoxy)-2-isopropoxy-2-phenyl-propanoic acid CAS Name: 3-(4-chloro-3-methylphenoxy)-3-(2-hydroxypropoxy)-2-phenyl-2-propan-2-yloxypropanoic acid IUPAC Name: 3-(4-chloro-3-methylphenoxy)-3-(2-hydroxypropoxy)-2-phenyl-2-propan-2-yloxypropanoic acid Traditional Name: 3-(4-chloro-3-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=CC(=C1)OC(C(C2=CC=CC=C2)(C(=O)O)OC(C)C)OCC(C)O)Cl

Isomeric SMILES

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

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)28-18-10-11-19(23)15(3)12-18/h5-12,14,16,21,24H,13H2,1-4H3,(H,25,26)