5-[(5E)-5-(1,3-diphenyl-2,3-diaza-1-azonia-4-azanidacyclopenten-5-ylidene)cyclopenta-1,3-dien-1-yl]-1,3-diphenyl-1,2,3,4-tetrazol-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 5-[(5E)-5-(1,3-diphenyl-2,3-diaza-1-azonia-4-azanidacyclopenten-5-ylidene)cyclopenta-1,3-dien-1-yl]-1,3-diphenyl-1,2,3,4-tetrazol-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 5-[(5E)-5-(1,3-diphenyl-2,3-diaza-1-azonia-4-azanidacyclopenten-5-ylidene)cyclopenta-1,3-dien-1-yl]-1,3-diphenyl-tetrazol-1-ium; trifluoromethanesulfonate CAS Name: 5-[(5E)-5-(1,3-diphenyl-2,3-diaza-1-azonia-4-azanidacyclopenten-5-ylidene)-1-cyclopenta-1,3-dienyl]-1,3-diphenyltetrazol-1-ium; trifluoromethanesulfonate IUPAC Name: 5-[(5E)-5-(1,3-diphenyl-2,3-diaza-1-azonia-4-azanidacyclopenten-5-ylidene)cyclopenta-1,3-dien-1-yl]-1,3-diphenyltetrazol-1-ium; trifluoromethanesulfonate Traditional Name: 5-[(5E)-5-(1,3-diphenyl-2,3-diaza-1-azonia-4-azanidacyclopenten-5-ylidene)cyclopenta-1,3-dien-1-yl]-1,3-diphenyl-tetrazol-1-ium triflate Formula: C32H23F3N8O3S MolecularWeight: 656.63703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2[N-]C(=C3C=CC=C3C4=NN(N=[N+]4C5=CC=CC=C5)C6=CC=CC=C6)[N+](=N2)C7=CC=CC=C7.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2[N-]/C(=C\3/C=CC=C3C4=NN(N=[N+]4C5=CC=CC=C5)C6=CC=CC=C6)/[N+](=N2)C7=CC=CC=C7.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C31H23N8.CHF3O3S/c1-5-14-24(15-6-1)36-30(32-38(34-36)26-18-9-3-10-19-26)28-22-13-23-29(28)31-33-39(27-20-11-4-12-21-27)35-37(31)25-16-7-2-8-17-25;2-1(3,4)8(5,6)7/h1-23H;(H,5,6,7)/q+1;/p-1