16,16-dimethyl-8-methylsulfonyl-12-oxidanyl-heptadecanoic acid

Systemtic Name: 16,16-dimethyl-8-methylsulfonyl-12-oxidanyl-heptadecanoic acid Openeye Name: 12-hydroxy-16,16-dimethyl-8-methylsulfonyl-heptadecanoic acid CAS Name: 12-hydroxy-16,16-dimethyl-8-methylsulfonylheptadecanoic acid IUPAC Name: 12-hydroxy-16,16-dimethyl-8-methylsulfonylheptadecanoic acid Traditional Name: 12-hydroxy-8-mesyl-16,16-dimethyl-heptadecanoic acid Formula: C20H40O5S MolecularWeight: 392.5936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H40O5S/c1-20(2,3)16-10-12-17(21)11-9-14-18(26(4,24)25)13-7-5-6-8-15-19(22)23/h17-18,21H,5-16H2,1-4H3,(H,22,23)