12-(2-methylpropanoyloxy)-8-methylsulfonyl-heptadecanoic acid

Systemtic Name: 12-(2-methylpropanoyloxy)-8-methylsulfonyl-heptadecanoic acid Openeye Name: 12-(2-methylpropanoyloxy)-8-methylsulfonyl-heptadecanoic acid CAS Name: 12-(2-methyl-1-oxopropoxy)-8-methylsulfonylheptadecanoic acid IUPAC Name: 12-(2-methylpropanoyloxy)-8-methylsulfonylheptadecanoic acid Traditional Name: 12-isobutyryloxy-8-mesyl-heptadecanoic acid Formula: C22H42O6S MolecularWeight: 434.63028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCC(CCCCCCC(=O)O)S(=O)(=O)C)OC(=O)C(C)C

Isomeric SMILES

CCCCCC(CCCC(CCCCCCC(=O)O)S(=O)(=O)C)OC(=O)C(C)C

InChI

InChI=1S/C22H42O6S/c1-5-6-9-13-19(28-22(25)18(2)3)14-12-16-20(29(4,26)27)15-10-7-8-11-17-21(23)24/h18-20H,5-17H2,1-4H3,(H,23,24)