cyano-methyl-(tetracen-5-ylmethyl)sulfanium; tris(fluoranyl)methanesulfonate

Systemtic Name: cyano-methyl-(tetracen-5-ylmethyl)sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: cyano-methyl-(tetracen-5-ylmethyl)sulfonium; trifluoromethanesulfonate CAS Name: cyano-methyl-(5-tetracenylmethyl)sulfonium; trifluoromethanesulfonate IUPAC Name: cyano-methyl-(tetracen-5-ylmethyl)sulfanium; trifluoromethanesulfonate Traditional Name: cyano-methyl-(tetracen-5-ylmethyl)sulfonium triflate Formula: C22H16F3NO3S2 MolecularWeight: 463.49255

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](CC1=C2C=CC=CC2=CC3=CC4=CC=CC=C4C=C31)C#N.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[S+](CC1=C2C=CC=CC2=CC3=CC4=CC=CC=C4C=C31)C#N.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C21H16NS.CHF3O3S/c1-23(14-22)13-21-19-9-5-4-8-17(19)11-18-10-15-6-2-3-7-16(15)12-20(18)21;2-1(3,4)8(5,6)7/h2-12H,13H2,1H3;(H,5,6,7)/q+1;/p-1