8-methylsulfonyl-12-pentanoyloxy-heptadecanoic acid

Systemtic Name: 8-methylsulfonyl-12-pentanoyloxy-heptadecanoic acid Openeye Name: 8-methylsulfonyl-12-pentanoyloxy-heptadecanoic acid CAS Name: 8-methylsulfonyl-12-(1-oxopentoxy)heptadecanoic acid IUPAC Name: 8-methylsulfonyl-12-pentanoyloxyheptadecanoic acid Traditional Name: 8-mesyl-12-valeryloxy-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)CCCC

Isomeric SMILES

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

InChI

InChI=1S/C23H44O6S/c1-4-6-10-14-20(29-23(26)19-7-5-2)15-13-17-21(30(3,27)28)16-11-8-9-12-18-22(24)25/h20-21H,4-19H2,1-3H3,(H,24,25)