(Z)-1-ethoxy-1-oxidanyl-3-(phenylmethylsulfanyl)pent-1-ene-2-diazonium

Systemtic Name: (Z)-1-ethoxy-1-oxidanyl-3-(phenylmethylsulfanyl)pent-1-ene-2-diazonium Openeye Name: (Z)-3-benzylsulfanyl-1-ethoxy-1-hydroxy-pent-1-ene-2-diazonium CAS Name: (Z)-1-ethoxy-1-hydroxy-3-(phenylmethylthio)-1-pentene-2-diazonium IUPAC Name: (Z)-3-benzylsulfanyl-1-ethoxy-1-hydroxypent-1-ene-2-diazonium Traditional Name: (Z)-3-(benzylthio)-1-ethoxy-1-hydroxy-pent-1-ene-2-diazonium Formula: C14H19N2O2S+ MolecularWeight: 279.37786

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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/p+1/b14-13-