12-(2,2-dimethylpropanoyloxy)-8-methylsulfonyl-heptadecanoic acid

Systemtic Name: 12-(2,2-dimethylpropanoyloxy)-8-methylsulfonyl-heptadecanoic acid Openeye Name: 12-(2,2-dimethylpropanoyloxy)-8-methylsulfonyl-heptadecanoic acid CAS Name: 12-(2,2-dimethyl-1-oxopropoxy)-8-methylsulfonylheptadecanoic acid IUPAC Name: 12-(2,2-dimethylpropanoyloxy)-8-methylsulfonylheptadecanoic acid Traditional Name: 8-mesyl-12-pivaloyloxy-heptadecanoic acid Formula: C23H44O6S MolecularWeight: 448.65686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H44O6S/c1-6-7-10-14-19(29-22(26)23(2,3)4)15-13-17-20(30(5,27)28)16-11-8-9-12-18-21(24)25/h19-20H,6-18H2,1-5H3,(H,24,25)