(E)-2-diazonio-1-phenyl-3-(phenylmethylsulfanyl)pent-1-en-1-olate

Systemtic Name: (E)-2-diazonio-1-phenyl-3-(phenylmethylsulfanyl)pent-1-en-1-olate Openeye Name: (E)-3-benzylsulfanyl-2-diazonio-1-phenyl-pent-1-en-1-olate CAS Name: (E)-2-diazonio-1-phenyl-3-(phenylmethylthio)-1-penten-1-olate IUPAC Name: (E)-3-benzylsulfanyl-2-diazonio-1-phenylpent-1-en-1-olate Traditional Name: (E)-3-(benzylthio)-2-diazonio-1-phenyl-pent-1-en-1-olate Formula: C18H18N2OS MolecularWeight: 310.41332

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=C(C1=CC=CC=C1)[O-])[N+]#N)SCC2=CC=CC=C2

Isomeric SMILES

CCC(/C(=C(/C1=CC=CC=C1)\[O-])/[N+]#N)SCC2=CC=CC=C2

InChI

InChI=1S/C18H18N2OS/c1-2-16(22-13-14-9-5-3-6-10-14)17(20-19)18(21)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3/b18-17+