4-[(1Z,3E)-1-cyano-4-phenyl-buta-1,3-dienyl]benzenediazonium; tris(fluoranyl)methanesulfonate

Systemtic Name: 4-[(1Z,3E)-1-cyano-4-phenyl-buta-1,3-dienyl]benzenediazonium; tris(fluoranyl)methanesulfonate Openeye Name: 4-[(1Z,3E)-1-cyano-4-phenyl-buta-1,3-dienyl]benzenediazonium; trifluoromethanesulfonate CAS Name: 4-[(1Z,3E)-1-cyano-4-phenylbuta-1,3-dienyl]benzenediazonium; trifluoromethanesulfonate IUPAC Name: 4-[(1Z,3E)-1-cyano-4-phenylbuta-1,3-dienyl]benzenediazonium; trifluoromethanesulfonate Traditional Name: 4-[(1Z,3E)-1-cyano-4-phenyl-buta-1,3-dienyl]benzenediazonium triflate Formula: C18H12F3N3O3S MolecularWeight: 407.36639

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC=C(C#N)C2=CC=C(C=C2)[N+]#N.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C=C(\C#N)/C2=CC=C(C=C2)[N+]#N.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C17H12N3.CHF3O3S/c18-13-16(15-9-11-17(20-19)12-10-15)8-4-7-14-5-2-1-3-6-14;2-1(3,4)8(5,6)7/h1-12H;(H,5,6,7)/q+1;/p-1/b7-4+,16-8+;