methyl 2-butoxy-5-methylsulfonyl-benzenecarboximidothioate hydroiodide

Systemtic Name: methyl 2-butoxy-5-methylsulfonyl-benzenecarboximidothioate hydroiodide Openeye Name: methyl 2-butoxy-5-methylsulfonyl-benzenecarboximidothioate hydroiodide CAS Name: 2-butoxy-5-methylsulfonylbenzenecarboximidothioic acid methyl ester hydroiodide IUPAC Name: methyl 2-butoxy-5-methylsulfonylbenzenecarboximidothioate hydroiodide Traditional Name: 2-butoxy-5-mesyl-benzenecarboximidothioic acid methyl ester hydroiodide Formula: C13H20INO3S2 MolecularWeight: 429.33727

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)S(=O)(=O)C)C(=N)SC.I

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)S(=O)(=O)C)C(=N)SC.I

InChI

InChI=1S/C13H19NO3S2.HI/c1-4-5-8-17-12-7-6-10(19(3,15)16)9-11(12)13(14)18-2;/h6-7,9,14H,4-5,8H2,1-3H3;1H