12-[2-methylsulfonyl-6-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]sulfanyldodecanoic acid

Systemtic Name: 12-[2-methylsulfonyl-6-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]sulfanyldodecanoic acid Openeye Name: 12-[2-(4-hydroxy-4-oxo-butoxy)-6-methylsulfonyl-phenyl]sulfanyldodecanoic acid CAS Name: 12-[[2-(4-hydroxy-4-oxobutoxy)-6-methylsulfonylphenyl]thio]dodecanoic acid IUPAC Name: 12-[2-(4-hydroxy-4-oxobutoxy)-6-methylsulfonylphenyl]sulfanyldodecanoic acid Traditional Name: 12-[[2-(4-hydroxy-4-keto-butoxy)-6-mesyl-phenyl]thio]lauric acid Formula: C23H36O7S2 MolecularWeight: 488.65774

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1SCCCCCCCCCCCC(=O)O)OCCCC(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1SCCCCCCCCCCCC(=O)O)OCCCC(=O)O

InChI

InChI=1S/C23H36O7S2/c1-32(28,29)20-14-11-13-19(30-17-12-16-22(26)27)23(20)31-18-10-8-6-4-2-3-5-7-9-15-21(24)25/h11,13-14H,2-10,12,15-18H2,1H3,(H,24,25)(H,26,27)