13,13-dimethyl-8-methylsulfonyl-12-oxidanyl-heptadecanoic acid

Systemtic Name: 13,13-dimethyl-8-methylsulfonyl-12-oxidanyl-heptadecanoic acid Openeye Name: 12-hydroxy-13,13-dimethyl-8-methylsulfonyl-heptadecanoic acid CAS Name: 12-hydroxy-13,13-dimethyl-8-methylsulfonylheptadecanoic acid IUPAC Name: 12-hydroxy-13,13-dimethyl-8-methylsulfonylheptadecanoic acid Traditional Name: 12-hydroxy-8-mesyl-13,13-dimethyl-heptadecanoic acid Formula: C20H40O5S MolecularWeight: 392.5936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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