(E)-1-(8-chloranyl-11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)-2-diazonio-ethenolate

Systemtic Name: (E)-1-(8-chloranyl-11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)-2-diazonio-ethenolate Openeye Name: (E)-1-(8-chloro-11-oxo-6H-benzo[c][1]benzothiepin-3-yl)-2-diazonio-ethenolate CAS Name: (E)-1-(8-chloro-11-oxo-6H-benzo[c][1]benzothiepin-3-yl)-2-diazonioethenolate IUPAC Name: (E)-1-(8-chloro-11-oxo-6H-benzo[c][1]benzothiepin-3-yl)-2-diazonioethenolate Traditional Name: (E)-1-(8-chloro-11-keto-6H-benzo[c][1]benzothiepin-3-yl)-2-diazonio-ethenolate Formula: C16H9ClN2O2S MolecularWeight: 328.77286

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)Cl)C(=O)C3=C(S1)C=C(C=C3)C(=C[N+]#N)[O-]

Isomeric SMILES

C1C2=C(C=CC(=C2)Cl)C(=O)C3=C(S1)C=C(C=C3)/C(=C\[N+]#N)/[O-]

InChI

InChI=1S/C16H9ClN2O2S/c17-11-2-4-12-10(5-11)8-22-15-6-9(14(20)7-19-18)1-3-13(15)16(12)21/h1-7H,8H2/b14-7+