[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]-dimethyl-sulfanium iodide

Systemtic Name: [2-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]-dimethyl-sulfanium iodide Openeye Name: [2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]-dimethyl-sulfonium iodide CAS Name: [2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-dimethylsulfonium iodide IUPAC Name: [2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-dimethylsulfanium iodide Traditional Name: [2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]-dimethyl-sulfonium iodide Formula: C10H15IO3S MolecularWeight: 342.19377

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](C)CC(C1=CC(=C(C=C1)O)O)O.[I-]

Isomeric SMILES

C[S+](C)CC(C1=CC(=C(C=C1)O)O)O.[I-]

InChI

InChI=1S/C10H14O3S.HI/c1-14(2)6-10(13)7-3-4-8(11)9(12)5-7;/h3-5,10,13H,6H2,1-2H3,(H-,11,12);1H