2-[4-[2-(4-butan-2-ylphenoxy)ethylsulfanyl]-3-methoxy-phenoxy]propanoic acid

Systemtic Name: 2-[4-[2-(4-butan-2-ylphenoxy)ethylsulfanyl]-3-methoxy-phenoxy]propanoic acid Openeye Name: 2-[3-methoxy-4-[2-(4-sec-butylphenoxy)ethylsulfanyl]phenoxy]propanoic acid CAS Name: 2-[4-[2-(4-butan-2-ylphenoxy)ethylthio]-3-methoxyphenoxy]propanoic acid IUPAC Name: 2-[4-[2-(4-butan-2-ylphenoxy)ethylsulfanyl]-3-methoxyphenoxy]propanoic acid Traditional Name: 2-[3-methoxy-4-[2-(4-sec-butylphenoxy)ethylthio]phenoxy]propionic acid Formula: C22H28O5S MolecularWeight: 404.51972

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)OCCSC2=C(C=C(C=C2)OC(C)C(=O)O)OC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)OCCSC2=C(C=C(C=C2)OC(C)C(=O)O)OC

InChI

InChI=1S/C22H28O5S/c1-5-15(2)17-6-8-18(9-7-17)26-12-13-28-21-11-10-19(14-20(21)25-4)27-16(3)22(23)24/h6-11,14-16H,5,12-13H2,1-4H3,(H,23,24)