(Z)-2-diazonio-3-ethoxy-3-oxidanylidene-1-(5-phenylsulfanylpent-3-ynoxy)prop-1-en-1-olate

Systemtic Name: (Z)-2-diazonio-3-ethoxy-3-oxidanylidene-1-(5-phenylsulfanylpent-3-ynoxy)prop-1-en-1-olate Openeye Name: (Z)-2-diazonio-3-ethoxy-3-oxo-1-(5-phenylsulfanylpent-3-ynoxy)prop-1-en-1-olate CAS Name: (Z)-2-diazonio-3-ethoxy-3-oxo-1-[5-(phenylthio)pent-3-ynoxy]-1-propen-1-olate IUPAC Name: (Z)-2-diazonio-3-ethoxy-3-oxo-1-(5-phenylsulfanylpent-3-ynoxy)prop-1-en-1-olate Traditional Name: (Z)-2-diazonio-3-ethoxy-3-keto-1-[5-(phenylthio)pent-3-ynoxy]prop-1-en-1-olate Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C([O-])OCCC#CCSC1=CC=CC=C1)[N+]#N

Isomeric SMILES

CCOC(=O)/C(=C(\[O-])/OCCC#CCSC1=CC=CC=C1)/[N+]#N

InChI

InChI=1S/C16H16N2O4S/c1-2-21-15(19)14(18-17)16(20)22-11-7-4-8-12-23-13-9-5-3-6-10-13/h3,5-6,9-10H,2,7,11-12H2,1H3