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

Systemtic Name: 3-[4-(2-methylsulfanylphenoxy)-3-oxidanyl-2-propoxy-phenyl]-2-propan-2-yloxy-propanoic acid Openeye Name: 3-[3-hydroxy-4-(2-methylsulfanylphenoxy)-2-propoxy-phenyl]-2-isopropoxy-propanoic acid CAS Name: 3-[3-hydroxy-4-[2-(methylthio)phenoxy]-2-propoxyphenyl]-2-propan-2-yloxypropanoic acid IUPAC Name: 3-[3-hydroxy-4-(2-methylsulfanylphenoxy)-2-propoxyphenyl]-2-propan-2-yloxypropanoic acid Traditional Name: 3-[3-hydroxy-4-[2-(methylthio)phenoxy]-2-propoxy-phenyl]-2-isopropoxy-propionic acid Formula: C22H28O6S MolecularWeight: 420.51912

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1O)OC2=CC=CC=C2SC)CC(C(=O)O)OC(C)C

Isomeric SMILES

CCCOC1=C(C=CC(=C1O)OC2=CC=CC=C2SC)CC(C(=O)O)OC(C)C

InChI

InChI=1S/C22H28O6S/c1-5-12-26-21-15(13-18(22(24)25)27-14(2)3)10-11-17(20(21)23)28-16-8-6-7-9-19(16)29-4/h6-11,14,18,23H,5,12-13H2,1-4H3,(H,24,25)