2,2-dimethyl-3H-thiochromen-4-one; tris(fluoranyl)methanesulfonic acid

Systemtic Name: 2,2-dimethyl-3H-thiochromen-4-one; tris(fluoranyl)methanesulfonic acid Openeye Name: 2,2-dimethylthiochroman-4-one; trifluoromethanesulfonic acid CAS Name: 2,2-dimethyl-3H-1-benzothiopyran-4-one; trifluoromethanesulfonic acid IUPAC Name: 2,2-dimethyl-3H-thiochromen-4-one; trifluoromethanesulfonic acid Traditional Name: 2,2-dimethylthiochroman-4-one; triflic acid Formula: C12H13F3O4S2 MolecularWeight: 342.35443

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2=CC=CC=C2S1)C.C(F)(F)(F)S(=O)(=O)O

Isomeric SMILES

CC1(CC(=O)C2=CC=CC=C2S1)C.C(F)(F)(F)S(=O)(=O)O

InChI

InChI=1S/C11H12OS.CHF3O3S/c1-11(2)7-9(12)8-5-3-4-6-10(8)13-11;2-1(3,4)8(5,6)7/h3-6H,7H2,1-2H3;(H,5,6,7)