4-(thiolan-1-ium-1-yl)naphthalene-1,6-diol; tris(fluoranyl)methanesulfonate

Systemtic Name: 4-(thiolan-1-ium-1-yl)naphthalene-1,6-diol; tris(fluoranyl)methanesulfonate Openeye Name: 4-tetrahydrothiophen-1-ium-1-ylnaphthalene-1,6-diol; trifluoromethanesulfonate CAS Name: 4-(1-thiolan-1-iumyl)naphthalene-1,6-diol; trifluoromethanesulfonate IUPAC Name: 4-(thiolan-1-ium-1-yl)naphthalene-1,6-diol; trifluoromethanesulfonate Traditional Name: 4-tetrahydrothiophen-1-ium-1-ylnaphthalene-1,6-diol triflate Formula: C15H15F3O5S2 MolecularWeight: 396.40181

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[S+](C1)C2=C3C=C(C=CC3=C(C=C2)O)O.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1CC[S+](C1)C2=C3C=C(C=CC3=C(C=C2)O)O.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C14H14O2S.CHF3O3S/c15-10-3-4-11-12(9-10)14(6-5-13(11)16)17-7-1-2-8-17;2-1(3,4)8(5,6)7/h3-6,9H,1-2,7-8H2,(H-,15,16);(H,5,6,7)