12-[5-methylsulfonyl-2-(4-oxidanyl-4-oxidanylidene-butoxy)phenoxy]dodecanoic acid

Systemtic Name: 12-[5-methylsulfonyl-2-(4-oxidanyl-4-oxidanylidene-butoxy)phenoxy]dodecanoic acid Openeye Name: 12-[2-(4-hydroxy-4-oxo-butoxy)-5-methylsulfonyl-phenoxy]dodecanoic acid CAS Name: 12-[2-(4-hydroxy-4-oxobutoxy)-5-methylsulfonylphenoxy]dodecanoic acid IUPAC Name: 12-[2-(4-hydroxy-4-oxobutoxy)-5-methylsulfonylphenoxy]dodecanoic acid Traditional Name: 12-[2-(4-hydroxy-4-keto-butoxy)-5-mesyl-phenoxy]lauric acid Formula: C23H36O8S MolecularWeight: 472.59214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)OCCCC(=O)O)OCCCCCCCCCCCC(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)OCCCC(=O)O)OCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C23H36O8S/c1-32(28,29)19-14-15-20(30-17-11-13-23(26)27)21(18-19)31-16-10-8-6-4-2-3-5-7-9-12-22(24)25/h14-15,18H,2-13,16-17H2,1H3,(H,24,25)(H,26,27)