2-[2-methyl-4-[(4-phenylmethoxyphenyl)methylsulfanyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-methyl-4-[(4-phenylmethoxyphenyl)methylsulfanyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[(4-benzyloxyphenyl)methylsulfanyl]-2-methyl-phenoxy]acetic acid CAS Name: 2-[2-methyl-4-[(4-phenylmethoxyphenyl)methylthio]phenoxy]acetic acid IUPAC Name: 2-[2-methyl-4-[(4-phenylmethoxyphenyl)methylsulfanyl]phenoxy]acetic acid Traditional Name: 2-[4-[(4-benzoxybenzyl)thio]-2-methyl-phenoxy]acetic acid Formula: C23H22O4S MolecularWeight: 394.48338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SCC2=CC=C(C=C2)OCC3=CC=CC=C3)OCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)SCC2=CC=C(C=C2)OCC3=CC=CC=C3)OCC(=O)O

InChI

InChI=1S/C23H22O4S/c1-17-13-21(11-12-22(17)27-15-23(24)25)28-16-19-7-9-20(10-8-19)26-14-18-5-3-2-4-6-18/h2-13H,14-16H2,1H3,(H,24,25)