2-[4-[2-(4-bromanylphenoxy)ethylsulfanyl]-2-methyl-phenoxy]propanoic acid

Systemtic Name: 2-[4-[2-(4-bromanylphenoxy)ethylsulfanyl]-2-methyl-phenoxy]propanoic acid Openeye Name: 2-[4-[2-(4-bromophenoxy)ethylsulfanyl]-2-methyl-phenoxy]propanoic acid CAS Name: 2-[4-[2-(4-bromophenoxy)ethylthio]-2-methylphenoxy]propanoic acid IUPAC Name: 2-[4-[2-(4-bromophenoxy)ethylsulfanyl]-2-methylphenoxy]propanoic acid Traditional Name: 2-[4-[2-(4-bromophenoxy)ethylthio]-2-methyl-phenoxy]propionic acid Formula: C18H19BrO4S MolecularWeight: 411.31006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SCCOC2=CC=C(C=C2)Br)OC(C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)SCCOC2=CC=C(C=C2)Br)OC(C)C(=O)O

InChI

InChI=1S/C18H19BrO4S/c1-12-11-16(7-8-17(12)23-13(2)18(20)21)24-10-9-22-15-5-3-14(19)4-6-15/h3-8,11,13H,9-10H2,1-2H3,(H,20,21)