(E)-1-diazonio-6-(2,4-dinitrophenyl)sulfanyl-hex-1-en-2-olate

Systemtic Name: (E)-1-diazonio-6-(2,4-dinitrophenyl)sulfanyl-hex-1-en-2-olate Openeye Name: (E)-1-diazonio-6-(2,4-dinitrophenyl)sulfanyl-hex-1-en-2-olate CAS Name: (E)-1-diazonio-6-[(2,4-dinitrophenyl)thio]-1-hexen-2-olate IUPAC Name: (E)-1-diazonio-6-(2,4-dinitrophenyl)sulfanylhex-1-en-2-olate Traditional Name: (E)-1-diazonio-6-[(2,4-dinitrophenyl)thio]hex-1-en-2-olate Formula: C12H12N4O5S MolecularWeight: 324.31248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SCCCCC(=C[N+]#N)[O-]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SCCCC/C(=C\[N+]#N)/[O-]

InChI

InChI=1S/C12H12N4O5S/c13-14-8-10(17)3-1-2-6-22-12-5-4-9(15(18)19)7-11(12)16(20)21/h4-5,7-8H,1-3,6H2/b10-8+