4-ethyl-2-(4-ethyl-2-methyl-1-oxidanyl-1-oxidanylidene-octan-2-yl)sulfanyl-2-methyl-octanoic acid

Systemtic Name: 4-ethyl-2-(4-ethyl-2-methyl-1-oxidanyl-1-oxidanylidene-octan-2-yl)sulfanyl-2-methyl-octanoic acid Openeye Name: 2-(1-carboxy-3-ethyl-1-methyl-heptyl)sulfanyl-4-ethyl-2-methyl-octanoic acid CAS Name: 4-ethyl-2-[(4-ethyl-1-hydroxy-2-methyl-1-oxooctan-2-yl)thio]-2-methyloctanoic acid IUPAC Name: 4-ethyl-2-(4-ethyl-1-hydroxy-2-methyl-1-oxooctan-2-yl)sulfanyl-2-methyloctanoic acid Traditional Name: 2-[(1-carboxy-3-ethyl-1-methyl-heptyl)thio]-4-ethyl-2-methyl-caprylic acid Formula: C22H42O4S MolecularWeight: 402.63148

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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)