(Z)-4-diazonio-5-oxidanylidene-1-phenyl-hex-3-en-3-olate; [ethyl(sulfino)amino]ethane

Systemtic Name: (Z)-4-diazonio-5-oxidanylidene-1-phenyl-hex-3-en-3-olate; [ethyl(sulfino)amino]ethane Openeye Name: (Z)-4-diazonio-5-oxo-1-phenyl-hex-3-en-3-olate; [ethyl(sulfino)amino]ethane CAS Name: (Z)-4-diazonio-5-oxo-1-phenyl-3-hexen-3-olate; [ethyl(sulfino)amino]ethane IUPAC Name: (Z)-4-diazonio-5-oxo-1-phenylhex-3-en-3-olate; [ethyl(sulfino)amino]ethane Traditional Name: (Z)-4-diazonio-5-keto-1-phenyl-hex-3-en-3-olate; [ethyl(sulfino)amino]ethane Formula: C16H23N3O4S MolecularWeight: 353.43652

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)O.CC(=O)C(=C(CCC1=CC=CC=C1)[O-])[N+]#N

Isomeric SMILES

CCN(CC)S(=O)O.CC(=O)/C(=C(\CCC1=CC=CC=C1)/[O-])/[N+]#N

InChI

InChI=1S/C12H12N2O2.C4H11NO2S/c1-9(15)12(14-13)11(16)8-7-10-5-3-2-4-6-10;1-3-5(4-2)8(6)7/h2-6H,7-8H2,1H3;3-4H2,1-2H3,(H,6,7)