1-(thian-2-yl)heptan-2-one; tris(fluoranyl)methanesulfonic acid

Systemtic Name: 1-(thian-2-yl)heptan-2-one; tris(fluoranyl)methanesulfonic acid Openeye Name: 1-tetrahydrothiopyran-2-ylheptan-2-one; trifluoromethanesulfonic acid CAS Name: 1-(2-thianyl)-2-heptanone; trifluoromethanesulfonic acid IUPAC Name: 1-(thian-2-yl)heptan-2-one; trifluoromethanesulfonic acid Traditional Name: 1-tetrahydrothiopyran-2-ylheptan-2-one; triflic acid Formula: C13H23F3O4S2 MolecularWeight: 364.44453

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)CC1CCCCS1.C(F)(F)(F)S(=O)(=O)O

Isomeric SMILES

CCCCCC(=O)CC1CCCCS1.C(F)(F)(F)S(=O)(=O)O

InChI

InChI=1S/C12H22OS.CHF3O3S/c1-2-3-4-7-11(13)10-12-8-5-6-9-14-12;2-1(3,4)8(5,6)7/h12H,2-10H2,1H3;(H,5,6,7)