4,4,5,6,6,10-hexadeuteriodec-9-yn-5-yl methanesulfonate

Systemtic Name: 4,4,5,6,6,10-hexadeuteriodec-9-yn-5-yl methanesulfonate Openeye Name: [1,2,2,6-tetradeuterio-1-(1,1-dideuteriobutyl)hex-5-ynyl] methanesulfonate CAS Name: methanesulfonic acid 4,4,5,6,6,10-hexadeuteriodec-9-yn-5-yl ester IUPAC Name: 4,4,5,6,6,10-hexadeuteriodec-9-yn-5-yl methanesulfonate Traditional Name: methanesulfonic acid [1,2,2,6-tetradeuterio-1-(1,1-dideuteriobutyl)hex-5-ynyl] ester Formula: C11H20O3S MolecularWeight: 238.376671

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

[2H]C#CCCC([2H])([2H])C([2H])(C([2H])([2H])CCC)OS(=O)(=O)C

InChI

InChI=1S/C11H20O3S/c1-4-6-8-10-11(9-7-5-2)14-15(3,12)13/h1,11H,5-10H2,2-3H3/i1D,9D2,10D2,11D