12-[5-methyl-2-(4-oxidanyl-4-oxidanylidene-butan-2-yl)sulfanyl-phenyl]sulfanyldodecanoic acid

Systemtic Name: 12-[5-methyl-2-(4-oxidanyl-4-oxidanylidene-butan-2-yl)sulfanyl-phenyl]sulfanyldodecanoic acid Openeye Name: 12-[2-(3-hydroxy-1-methyl-3-oxo-propyl)sulfanyl-5-methyl-phenyl]sulfanyldodecanoic acid CAS Name: 12-[[2-[(4-hydroxy-4-oxobutan-2-yl)thio]-5-methylphenyl]thio]dodecanoic acid IUPAC Name: 12-[2-(4-hydroxy-4-oxobutan-2-yl)sulfanyl-5-methylphenyl]sulfanyldodecanoic acid Traditional Name: 12-[[2-[(3-hydroxy-3-keto-1-methyl-propyl)thio]-5-methyl-phenyl]thio]lauric acid Formula: C23H36O4S2 MolecularWeight: 440.65954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SC(C)CC(=O)O)SCCCCCCCCCCCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)SC(C)CC(=O)O)SCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C23H36O4S2/c1-18-13-14-20(29-19(2)17-23(26)27)21(16-18)28-15-11-9-7-5-3-4-6-8-10-12-22(24)25/h13-14,16,19H,3-12,15,17H2,1-2H3,(H,24,25)(H,26,27)