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

Systemtic Name: (E)-3-diazonio-4-(phenylmethylsulfanyl)hex-2-en-2-olate Openeye Name: (E)-4-benzylsulfanyl-3-diazonio-hex-2-en-2-olate CAS Name: (E)-3-diazonio-4-(phenylmethylthio)-2-hexen-2-olate IUPAC Name: (E)-4-benzylsulfanyl-3-diazoniohex-2-en-2-olate Traditional Name: (E)-4-(benzylthio)-3-diazonio-hex-2-en-2-olate Formula: C13H16N2OS MolecularWeight: 248.34394

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=C(C)[O-])[N+]#N)SCC1=CC=CC=C1

Isomeric SMILES

CCC(/C(=C(/C)\[O-])/[N+]#N)SCC1=CC=CC=C1

InChI

InChI=1S/C13H16N2OS/c1-3-12(13(15-14)10(2)16)17-9-11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3/b13-10+