(Z)-2-diazonio-1-ethoxy-3-(phenylmethylsulfanyl)pent-1-en-1-olate

Systemtic Name: (Z)-2-diazonio-1-ethoxy-3-(phenylmethylsulfanyl)pent-1-en-1-olate Openeye Name: (Z)-3-benzylsulfanyl-2-diazonio-1-ethoxy-pent-1-en-1-olate CAS Name: (Z)-2-diazonio-1-ethoxy-3-(phenylmethylthio)-1-penten-1-olate IUPAC Name: (Z)-3-benzylsulfanyl-2-diazonio-1-ethoxypent-1-en-1-olate Traditional Name: (Z)-3-(benzylthio)-2-diazonio-1-ethoxy-pent-1-en-1-olate Formula: C14H18N2O2S MolecularWeight: 278.36992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O2S/c1-3-12(13(16-15)14(17)18-4-2)19-10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3/b14-13-