4-ethyl-2-(4-ethyl-2-methyl-1-oxidanidyl-1-oxidanylidene-octan-2-yl)sulfanyl-2-methyl-octanoate

Systemtic Name: 4-ethyl-2-(4-ethyl-2-methyl-1-oxidanidyl-1-oxidanylidene-octan-2-yl)sulfanyl-2-methyl-octanoate Openeye Name: 2-(1-carboxylato-3-ethyl-1-methyl-heptyl)sulfanyl-4-ethyl-2-methyl-octanoate CAS Name: 4-ethyl-2-[(4-ethyl-2-methyl-1-oxido-1-oxooctan-2-yl)thio]-2-methyloctanoate IUPAC Name: 4-ethyl-2-(4-ethyl-2-methyl-1-oxido-1-oxooctan-2-yl)sulfanyl-2-methyloctanoate Traditional Name: 2-[(1-carboxylato-3-ethyl-1-methyl-heptyl)thio]-4-ethyl-2-methyl-caprylate Formula: C22H40O4S-2 MolecularWeight: 400.6156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H42O4S/c1-7-11-13-17(9-3)15-21(5,19(23)24)27-22(6,20(25)26)16-18(10-4)14-12-8-2/h17-18H,7-16H2,1-6H3,(H,23,24)(H,25,26)/p-2