[4,5-bis(oxidanyl)naphthalen-1-yl]-dimethyl-sulfanium; tris(fluoranyl)methanesulfonate

Systemtic Name: [4,5-bis(oxidanyl)naphthalen-1-yl]-dimethyl-sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: (4,5-dihydroxy-1-naphthyl)-dimethyl-sulfonium; trifluoromethanesulfonate CAS Name: (4,5-dihydroxy-1-naphthalenyl)-dimethylsulfonium; trifluoromethanesulfonate IUPAC Name: (4,5-dihydroxynaphthalen-1-yl)-dimethylsulfanium; trifluoromethanesulfonate Traditional Name: (4,5-dihydroxy-1-naphthyl)-dimethyl-sulfonium triflate Formula: C13H13F3O5S2 MolecularWeight: 370.36453

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](C)C1=C2C=CC=C(C2=C(C=C1)O)O.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[S+](C)C1=C2C=CC=C(C2=C(C=C1)O)O.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C12H12O2S.CHF3O3S/c1-15(2)11-7-6-10(14)12-8(11)4-3-5-9(12)13;2-1(3,4)8(5,6)7/h3-7H,1-2H3,(H-,13,14);(H,5,6,7)