(Z)-2-diazonio-1-ethoxy-3-oxidanyl-3-[2-(phenylmethylsulfanyl)phenyl]prop-1-en-1-olate

Systemtic Name: (Z)-2-diazonio-1-ethoxy-3-oxidanyl-3-[2-(phenylmethylsulfanyl)phenyl]prop-1-en-1-olate Openeye Name: (Z)-3-(2-benzylsulfanylphenyl)-2-diazonio-1-ethoxy-3-hydroxy-prop-1-en-1-olate CAS Name: (Z)-2-diazonio-1-ethoxy-3-hydroxy-3-[2-(phenylmethylthio)phenyl]-1-propen-1-olate IUPAC Name: (Z)-3-(2-benzylsulfanylphenyl)-2-diazonio-1-ethoxy-3-hydroxyprop-1-en-1-olate Traditional Name: (Z)-3-[2-(benzylthio)phenyl]-2-diazonio-1-ethoxy-3-hydroxy-prop-1-en-1-olate Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(C1=CC=CC=C1SCC2=CC=CC=C2)O)[N+]#N)[O-]

Isomeric SMILES

CCO/C(=C(/C(C1=CC=CC=C1SCC2=CC=CC=C2)O)\[N+]#N)/[O-]

InChI

InChI=1S/C18H18N2O3S/c1-2-23-18(22)16(20-19)17(21)14-10-6-7-11-15(14)24-12-13-8-4-3-5-9-13/h3-11,17,21H,2,12H2,1H3/b18-16-