1,2-diphenyl-1-benzothiophen-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1,2-diphenyl-1-benzothiophen-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1,2-diphenylbenzothiophen-1-ium; trifluoromethanesulfonate CAS Name: 1,2-diphenyl-1-benzothiophen-1-ium; trifluoromethanesulfonate IUPAC Name: 1,2-diphenyl-1-benzothiophen-1-ium; trifluoromethanesulfonate Traditional Name: 1,2-diphenylbenzothiophen-1-ium triflate Formula: C21H15F3O3S2 MolecularWeight: 436.46721

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=CC=CC=C3[S+]2C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=CC=CC=C3[S+]2C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C20H15S.CHF3O3S/c1-3-9-16(10-4-1)20-15-17-11-7-8-14-19(17)21(20)18-12-5-2-6-13-18;2-1(3,4)8(5,6)7/h1-15H;(H,5,6,7)/q+1;/p-1