12-butanoyloxy-8-methylsulfonyl-heptadecanoic acid

Systemtic Name: 12-butanoyloxy-8-methylsulfonyl-heptadecanoic acid Openeye Name: 12-butanoyloxy-8-methylsulfonyl-heptadecanoic acid CAS Name: 8-methylsulfonyl-12-(1-oxobutoxy)heptadecanoic acid IUPAC Name: 12-butanoyloxy-8-methylsulfonylheptadecanoic acid Traditional Name: 12-butyryloxy-8-mesyl-heptadecanoic acid Formula: C22H42O6S MolecularWeight: 434.63028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H42O6S/c1-4-6-9-14-19(28-22(25)13-5-2)15-12-17-20(29(3,26)27)16-10-7-8-11-18-21(23)24/h19-20H,4-18H2,1-3H3,(H,23,24)