(E)-3-diazonio-2-oxidanylidene-8-sulfanyl-oct-3-en-4-olate

Systemtic Name: (E)-3-diazonio-2-oxidanylidene-8-sulfanyl-oct-3-en-4-olate Openeye Name: (E)-3-diazonio-2-oxo-8-sulfanyl-oct-3-en-4-olate CAS Name: (E)-3-diazonio-8-mercapto-2-oxo-3-octen-4-olate IUPAC Name: (E)-3-diazonio-2-oxo-8-sulfanyloct-3-en-4-olate Traditional Name: (E)-3-diazonio-2-keto-8-mercapto-oct-3-en-4-olate Formula: C8H12N2O2S MolecularWeight: 200.25808

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(CCCCS)[O-])[N+]#N

Isomeric SMILES

CC(=O)/C(=C(/CCCCS)\[O-])/[N+]#N

InChI

InChI=1S/C8H12N2O2S/c1-6(11)8(10-9)7(12)4-2-3-5-13/h2-5H2,1H3,(H-,11,12,13)