(E)-3-diazonio-4-phenylsulfanyl-hex-2-en-2-olate

Systemtic Name: (E)-3-diazonio-4-phenylsulfanyl-hex-2-en-2-olate Openeye Name: (E)-3-diazonio-4-phenylsulfanyl-hex-2-en-2-olate CAS Name: (E)-3-diazonio-4-(phenylthio)-2-hexen-2-olate IUPAC Name: (E)-3-diazonio-4-phenylsulfanylhex-2-en-2-olate Traditional Name: (E)-3-diazonio-4-(phenylthio)hex-2-en-2-olate Formula: C12H14N2OS MolecularWeight: 234.31736

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=C(C)[O-])[N+]#N)SC1=CC=CC=C1

Isomeric SMILES

CCC(/C(=C(/C)\[O-])/[N+]#N)SC1=CC=CC=C1

InChI

InChI=1S/C12H14N2OS/c1-3-11(12(14-13)9(2)15)16-10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3/b12-9+