undec-9-yn-4-yl methanesulfonate

Systemtic Name: undec-9-yn-4-yl methanesulfonate Openeye Name: 1-propyloct-6-ynyl methanesulfonate CAS Name: methanesulfonic acid undec-9-yn-4-yl ester IUPAC Name: undec-9-yn-4-yl methanesulfonate Traditional Name: methanesulfonic acid 1-propyloct-6-ynyl ester Formula: C12H22O3S MolecularWeight: 246.36628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22O3S/c1-4-6-7-8-9-11-12(10-5-2)15-16(3,13)14/h12H,5,7-11H2,1-3H3