3-methyl-1-(thian-2-yl)butan-2-one; tris(fluoranyl)methanesulfonic acid

Systemtic Name: 3-methyl-1-(thian-2-yl)butan-2-one; tris(fluoranyl)methanesulfonic acid Openeye Name: 3-methyl-1-tetrahydrothiopyran-2-yl-butan-2-one; trifluoromethanesulfonic acid CAS Name: 3-methyl-1-(2-thianyl)-2-butanone; trifluoromethanesulfonic acid IUPAC Name: 3-methyl-1-(thian-2-yl)butan-2-one; trifluoromethanesulfonic acid Traditional Name: 3-methyl-1-tetrahydrothiopyran-2-yl-butan-2-one; triflic acid Formula: C11H19F3O4S2 MolecularWeight: 336.39137

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H18OS.CHF3O3S/c1-8(2)10(11)7-9-5-3-4-6-12-9;2-1(3,4)8(5,6)7/h8-9H,3-7H2,1-2H3;(H,5,6,7)