8-methylsulfonyl-12-propanoyloxy-heptadecanoic acid

Systemtic Name: 8-methylsulfonyl-12-propanoyloxy-heptadecanoic acid Openeye Name: 8-methylsulfonyl-12-propanoyloxy-heptadecanoic acid CAS Name: 8-methylsulfonyl-12-(1-oxopropoxy)heptadecanoic acid IUPAC Name: 8-methylsulfonyl-12-propanoyloxyheptadecanoic acid Traditional Name: 8-mesyl-12-propionyloxy-heptadecanoic acid Formula: C21H40O6S MolecularWeight: 420.6037

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H40O6S/c1-4-6-9-13-18(27-21(24)5-2)14-12-16-19(28(3,25)26)15-10-7-8-11-17-20(22)23/h18-19H,4-17H2,1-3H3,(H,22,23)