ethyl-(2-ethylhexoxycarbonyl)-methyl-sulfanium; propanoate

Systemtic Name: ethyl-(2-ethylhexoxycarbonyl)-methyl-sulfanium; propanoate Openeye Name: ethyl-(2-ethylhexoxycarbonyl)-methyl-sulfonium; propanoate CAS Name: ethyl-[2-ethylhexoxy(oxo)methyl]-methylsulfonium; propanoate IUPAC Name: ethyl-(2-ethylhexoxycarbonyl)-methylsulfanium; propanoate Traditional Name: ethyl-(2-ethylhexoxycarbonyl)-methyl-sulfonium; propionate Formula: C15H30O4S MolecularWeight: 306.4613

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)[S+](C)CC.CCC(=O)[O-]

Isomeric SMILES

CCCCC(CC)COC(=O)[S+](C)CC.CCC(=O)[O-]

InChI

InChI=1S/C12H25O2S.C3H6O2/c1-5-8-9-11(6-2)10-14-12(13)15(4)7-3;1-2-3(4)5/h11H,5-10H2,1-4H3;2H2,1H3,(H,4,5)/q+1;/p-1