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

Systemtic Name: 1-(thian-2-yl)hexan-2-one; tris(fluoranyl)methanesulfonic acid Openeye Name: 1-tetrahydrothiopyran-2-ylhexan-2-one; trifluoromethanesulfonic acid CAS Name: 1-(2-thianyl)-2-hexanone; trifluoromethanesulfonic acid IUPAC Name: 1-(thian-2-yl)hexan-2-one; trifluoromethanesulfonic acid Traditional Name: 1-tetrahydrothiopyran-2-ylhexan-2-one; triflic acid Formula: C12H21F3O4S2 MolecularWeight: 350.41795

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H20OS.CHF3O3S/c1-2-3-6-10(12)9-11-7-4-5-8-13-11;2-1(3,4)8(5,6)7/h11H,2-9H2,1H3;(H,5,6,7)