3-phenylsulfanyl-9H-anthracen-9-ylium; tris(fluoranyl)methanesulfonate

Systemtic Name: 3-phenylsulfanyl-9H-anthracen-9-ylium; tris(fluoranyl)methanesulfonate Openeye Name: 3-phenylsulfanyl-9H-anthracen-9-ylium; trifluoromethanesulfonate CAS Name: 3-(phenylthio)-9H-anthracen-9-ylium; trifluoromethanesulfonate IUPAC Name: 3-phenylsulfanyl-9H-anthracen-9-ylium; trifluoromethanesulfonate Traditional Name: 3-(phenylthio)-9H-anthracen-9-ylium triflate Formula: C21H13F3O3S2 MolecularWeight: 434.45133

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC3=C(C=C2)[C+]=C4C=CC=CC4=C3.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC3=C(C=C2)[C+]=C4C=CC=CC4=C3.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C20H13S.CHF3O3S/c1-2-8-19(9-3-1)21-20-11-10-17-12-15-6-4-5-7-16(15)13-18(17)14-20;2-1(3,4)8(5,6)7/h1-11,13-14H;(H,5,6,7)/q+1;/p-1