heptan-4-yl methanesulfonate

Systemtic Name: heptan-4-yl methanesulfonate Openeye Name: 1-propylbutyl methanesulfonate CAS Name: methanesulfonic acid heptan-4-yl ester IUPAC Name: heptan-4-yl methanesulfonate Traditional Name: methanesulfonic acid 1-propylbutyl ester Formula: C8H18O3S MolecularWeight: 194.29172

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)OS(=O)(=O)C

Isomeric SMILES

CCCC(CCC)OS(=O)(=O)C

InChI

InChI=1S/C8H18O3S/c1-4-6-8(7-5-2)11-12(3,9)10/h8H,4-7H2,1-3H3