(Z)-3-ethoxy-1-oxidanyl-3-oxidanylidene-1-(5-phenylsulfanylpent-3-ynoxy)prop-1-ene-2-diazonium

Systemtic Name: (Z)-3-ethoxy-1-oxidanyl-3-oxidanylidene-1-(5-phenylsulfanylpent-3-ynoxy)prop-1-ene-2-diazonium Openeye Name: (Z)-3-ethoxy-1-hydroxy-3-oxo-1-(5-phenylsulfanylpent-3-ynoxy)prop-1-ene-2-diazonium CAS Name: (Z)-3-ethoxy-1-hydroxy-3-oxo-1-[5-(phenylthio)pent-3-ynoxy]-1-propene-2-diazonium IUPAC Name: (Z)-3-ethoxy-1-hydroxy-3-oxo-1-(5-phenylsulfanylpent-3-ynoxy)prop-1-ene-2-diazonium Traditional Name: (Z)-3-ethoxy-1-hydroxy-3-keto-1-[5-(phenylthio)pent-3-ynoxy]prop-1-ene-2-diazonium Formula: C16H17N2O4S+ MolecularWeight: 333.38218

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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/p+1