sodium 2-ethylhexyl 3-ethyl-3-(2-oxidanidylperoxysulfanylethanoyloxymethyl)heptanoate

Systemtic Name: sodium 2-ethylhexyl 3-ethyl-3-(2-oxidanidylperoxysulfanylethanoyloxymethyl)heptanoate Openeye Name: sodium 2-ethylhexyl 3-ethyl-3-[(2-oxidoperoxysulfanylacetyl)oxymethyl]heptanoate CAS Name: sodium 3-ethyl-3-[[2-(oxidodioxythio)-1-oxoethoxy]methyl]heptanoic acid 2-ethylhexyl ester IUPAC Name: sodium 2-ethylhexyl 3-ethyl-3-[(2-oxidoperoxysulfanylacetyl)oxymethyl]heptanoate Traditional Name: sodium 3-ethyl-3-[[2-(oxidoperoxythio)acetyl]oxymethyl]enanthic acid 2-ethylhexyl ester Formula: C20H37NaO7S MolecularWeight: 444.55835

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)CC(CC)(CCCC)COC(=O)CSOO[O-].[Na+]

Isomeric SMILES

CCCCC(CC)COC(=O)CC(CC)(CCCC)COC(=O)CSOO[O-].[Na+]

InChI

InChI=1S/C20H38O7S.Na/c1-5-9-11-17(7-3)14-24-18(21)13-20(8-4,12-10-6-2)16-25-19(22)15-28-27-26-23;/h17,23H,5-16H2,1-4H3;/q;+1/p-1