217-59-4 Purity
99%+
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Specification
The molecular formula is C13H11F5OS.
The molecular weight is 310.28 g/mol.
The IUPAC name is pentafluoro-(3-phenylmethoxyphenyl)-λ6-sulfane.
The InChI is InChI=1S/C13H11F5OS/c14-20(15,16,17,18)13-8-4-7-12(9-13)19-10-11-5-2-1-3-6-11/h1-9H,10H2.
The InChIKey is XWGOMDRKXXUJRW-UHFFFAOYSA-N.
The canonical SMILES is C1=CC=C(C=C1)COC2=CC(=CC=C2)S(F)(F)(F)(F)F.
The CAS number is 1272542-25-2.
The EC number is 802-817-5.
Yes, it is a canonicalized compound.