sulfanium (1-cyano-1-tetracen-5-yl-ethyl) tris(fluoranyl)methanesulfonate

Systemtic Name: sulfanium (1-cyano-1-tetracen-5-yl-ethyl) tris(fluoranyl)methanesulfonate Openeye Name: sulfonium (1-cyano-1-tetracen-5-yl-ethyl) trifluoromethanesulfonate CAS Name: sulfonium trifluoromethanesulfonic acid [1-cyano-1-(5-tetracenyl)ethyl] ester IUPAC Name: sulfanium (1-cyano-1-tetracen-5-ylethyl) trifluoromethanesulfonate Traditional Name: sulfonium trifluoromethanesulfonic acid (1-cyano-1-tetracen-5-yl-ethyl) ester Formula: C22H17F3NO3S2+ MolecularWeight: 464.50049

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1=C2C=CC=CC2=CC3=CC4=CC=CC=C4C=C31)OS(=O)(=O)C(F)(F)F.[SH3+]

Isomeric SMILES

CC(C#N)(C1=C2C=CC=CC2=CC3=CC4=CC=CC=C4C=C31)OS(=O)(=O)C(F)(F)F.[SH3+]

InChI

InChI=1S/C22H14F3NO3S.H2S/c1-21(13-26,29-30(27,28)22(23,24)25)20-18-9-5-4-8-16(18)11-17-10-14-6-2-3-7-15(14)12-19(17)20;/h2-12H,1H3;1H2/p+1