octan-2-yl methanesulfonate

Systemtic Name: octan-2-yl methanesulfonate Openeye Name: 1-methylheptyl methanesulfonate CAS Name: methanesulfonic acid octan-2-yl ester IUPAC Name: octan-2-yl methanesulfonate Traditional Name: methanesulfonic acid 1-methylheptyl ester Formula: C9H20O3S MolecularWeight: 208.3183

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OS(=O)(=O)C

Isomeric SMILES

CCCCCCC(C)OS(=O)(=O)C

InChI

InChI=1S/C9H20O3S/c1-4-5-6-7-8-9(2)12-13(3,10)11/h9H,4-8H2,1-3H3