(3-butyl-3-oxidanyl-heptan-2-yl) methanesulfonate

Systemtic Name: (3-butyl-3-oxidanyl-heptan-2-yl) methanesulfonate Openeye Name: (2-butyl-2-hydroxy-1-methyl-hexyl) methanesulfonate CAS Name: methanesulfonic acid (3-butyl-3-hydroxyheptan-2-yl) ester IUPAC Name: (3-butyl-3-hydroxyheptan-2-yl) methanesulfonate Traditional Name: methanesulfonic acid (2-butyl-2-hydroxy-1-methyl-hexyl) ester Formula: C12H26O4S MolecularWeight: 266.39744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)(C(C)OS(=O)(=O)C)O

Isomeric SMILES

CCCCC(CCCC)(C(C)OS(=O)(=O)C)O

InChI

InChI=1S/C12H26O4S/c1-5-7-9-12(13,10-8-6-2)11(3)16-17(4,14)15/h11,13H,5-10H2,1-4H3