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

Systemtic Name: 2-[4-[(4-acetyloxyphenyl)methylsulfanyl]-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[(4-acetoxyphenyl)methylsulfanyl]-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[(4-acetyloxyphenyl)methylthio]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[(4-acetyloxyphenyl)methylsulfanyl]-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[(4-acetoxybenzyl)thio]-2-methyl-phenoxy]acetic acid Formula: C18H18O5S MolecularWeight: 346.39752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SCC2=CC=C(C=C2)OC(=O)C)OCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)SCC2=CC=C(C=C2)OC(=O)C)OCC(=O)O

InChI

InChI=1S/C18H18O5S/c1-12-9-16(7-8-17(12)22-10-18(20)21)24-11-14-3-5-15(6-4-14)23-13(2)19/h3-9H,10-11H2,1-2H3,(H,20,21)