(E)-2-oxidanyl-4-(phenylmethylsulfanyl)hex-2-ene-3-diazonium

Systemtic Name: (E)-2-oxidanyl-4-(phenylmethylsulfanyl)hex-2-ene-3-diazonium Openeye Name: (E)-4-benzylsulfanyl-2-hydroxy-hex-2-ene-3-diazonium CAS Name: (E)-2-hydroxy-4-(phenylmethylthio)-2-hexene-3-diazonium IUPAC Name: (E)-4-benzylsulfanyl-2-hydroxyhex-2-ene-3-diazonium Traditional Name: (E)-4-(benzylthio)-2-hydroxy-hex-2-ene-3-diazonium Formula: C13H17N2OS+ MolecularWeight: 249.35188

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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/p+1/b13-10+