12-acetyloxy-8-methylsulfonyl-heptadec-16-enoic acid

Systemtic Name: 12-acetyloxy-8-methylsulfonyl-heptadec-16-enoic acid Openeye Name: 12-acetoxy-8-methylsulfonyl-heptadec-16-enoic acid CAS Name: 12-acetyloxy-8-methylsulfonyl-16-heptadecenoic acid IUPAC Name: 12-acetyloxy-8-methylsulfonylheptadec-16-enoic acid Traditional Name: 12-acetoxy-8-mesyl-heptadec-16-enoic acid Formula: C20H36O6S MolecularWeight: 404.56124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H36O6S/c1-4-5-8-12-18(26-17(2)21)13-11-15-19(27(3,24)25)14-9-6-7-10-16-20(22)23/h4,18-19H,1,5-16H2,2-3H3,(H,22,23)