2-[4-[2-(4-butoxyphenyl)propylsulfanyl]-2-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[2-(4-butoxyphenyl)propylsulfanyl]-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[2-(4-butoxyphenyl)propylsulfanyl]-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[2-(4-butoxyphenyl)propylthio]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[2-(4-butoxyphenyl)propylsulfanyl]-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[2-(4-butoxyphenyl)propylthio]-2-methyl-phenoxy]acetic acid Formula: C22H28O4S MolecularWeight: 388.52032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(C)CSC2=CC(=C(C=C2)OCC(=O)O)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(C)CSC2=CC(=C(C=C2)OCC(=O)O)C

InChI

InChI=1S/C22H28O4S/c1-4-5-12-25-19-8-6-18(7-9-19)17(3)15-27-20-10-11-21(16(2)13-20)26-14-22(23)24/h6-11,13,17H,4-5,12,14-15H2,1-3H3,(H,23,24)