4-ethyl-2-(2-ethylhexyl)-2-[(3-oxidanidyl-3-oxidanylidene-propyl)sulfanylmethyl]octanoate

Systemtic Name: 4-ethyl-2-(2-ethylhexyl)-2-[(3-oxidanidyl-3-oxidanylidene-propyl)sulfanylmethyl]octanoate Openeye Name: 4-ethyl-2-(2-ethylhexyl)-2-[(3-oxido-3-oxo-propyl)sulfanylmethyl]octanoate CAS Name: 4-ethyl-2-(2-ethylhexyl)-2-[[(3-oxido-3-oxopropyl)thio]methyl]octanoate IUPAC Name: 4-ethyl-2-(2-ethylhexyl)-2-[(3-oxido-3-oxopropyl)sulfanylmethyl]octanoate Traditional Name: 4-ethyl-2-(2-ethylhexyl)-2-[[(3-keto-3-oxido-propyl)thio]methyl]caprylate Formula: C22H40O4S-2 MolecularWeight: 400.6156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(CC(CC)CCCC)(CSCCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCC(CC)CC(CC(CC)CCCC)(CSCCC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C22H42O4S/c1-5-9-11-18(7-3)15-22(21(25)26,17-27-14-13-20(23)24)16-19(8-4)12-10-6-2/h18-19H,5-17H2,1-4H3,(H,23,24)(H,25,26)/p-2