12-[2-methylsulfanyl-6-(5-oxidanyl-5-oxidanylidene-pentan-2-yl)oxy-phenyl]sulfanyldodecanoic acid

Systemtic Name: 12-[2-methylsulfanyl-6-(5-oxidanyl-5-oxidanylidene-pentan-2-yl)oxy-phenyl]sulfanyldodecanoic acid Openeye Name: 12-[2-(4-hydroxy-1-methyl-4-oxo-butoxy)-6-methylsulfanyl-phenyl]sulfanyldodecanoic acid CAS Name: 12-[[2-(5-hydroxy-5-oxopentan-2-yl)oxy-6-(methylthio)phenyl]thio]dodecanoic acid IUPAC Name: 12-[2-(5-hydroxy-5-oxopentan-2-yl)oxy-6-methylsulfanylphenyl]sulfanyldodecanoic acid Traditional Name: 12-[[2-(4-hydroxy-4-keto-1-methyl-butoxy)-6-(methylthio)phenyl]thio]lauric acid Formula: C24H38O5S2 MolecularWeight: 470.68552

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)O)OC1=C(C(=CC=C1)SC)SCCCCCCCCCCCC(=O)O

Isomeric SMILES

CC(CCC(=O)O)OC1=C(C(=CC=C1)SC)SCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C24H38O5S2/c1-19(16-17-23(27)28)29-20-13-12-14-21(30-2)24(20)31-18-11-9-7-5-3-4-6-8-10-15-22(25)26/h12-14,19H,3-11,15-18H2,1-2H3,(H,25,26)(H,27,28)