3-butyl-2-methyl-2-(1-oxidanidyl-1-oxidanylidene-propan-2-yl)sulfanyl-icosanoate

Systemtic Name: 3-butyl-2-methyl-2-(1-oxidanidyl-1-oxidanylidene-propan-2-yl)sulfanyl-icosanoate Openeye Name: 3-butyl-2-methyl-2-(1-methyl-2-oxido-2-oxo-ethyl)sulfanyl-icosanoate CAS Name: 3-butyl-2-methyl-2-[(1-oxido-1-oxopropan-2-yl)thio]eicosanoate IUPAC Name: 3-butyl-2-methyl-2-(1-oxido-1-oxopropan-2-yl)sulfanylicosanoate Traditional Name: 3-butyl-2-[(2-keto-1-methyl-2-oxido-ethyl)thio]-2-methyl-arachidate Formula: C28H52O4S-2 MolecularWeight: 484.77508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CCCC)C(C)(C(=O)[O-])SC(C)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(CCCC)C(C)(C(=O)[O-])SC(C)C(=O)[O-]

InChI

InChI=1S/C28H54O4S/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25(22-8-6-2)28(4,27(31)32)33-24(3)26(29)30/h24-25H,5-23H2,1-4H3,(H,29,30)(H,31,32)/p-2