diphenyl (1E,3E,5E)-7-cyano-1-isocyano-hepta-1,3,5-triene-1,7-disulfinate

Systemtic Name: diphenyl (1E,3E,5E)-7-cyano-1-isocyano-hepta-1,3,5-triene-1,7-disulfinate Openeye Name: diphenyl (1E,3E,5E)-7-cyano-1-isocyano-hepta-1,3,5-triene-1,7-disulfinate CAS Name: (1E,3E,5E)-7-cyano-1-isocyanohepta-1,3,5-triene-1,7-disulfinic acid diphenyl ester IUPAC Name: diphenyl (1E,3E,5E)-7-cyano-1-isocyanohepta-1,3,5-triene-1,7-disulfinate Traditional Name: (1E,3E,5E)-7-cyano-1-isocyano-hepta-1,3,5-triene-1,7-disulfinic acid diphenyl ester Formula: C21H16N2O4S2 MolecularWeight: 424.49274

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C(=CC=CC=CC(C#N)S(=O)OC1=CC=CC=C1)S(=O)OC2=CC=CC=C2

Isomeric SMILES

[C-]#[N+]/C(=C\C=C\C=C\C(C#N)S(=O)OC1=CC=CC=C1)/S(=O)OC2=CC=CC=C2

InChI

InChI=1S/C21H16N2O4S2/c1-23-21(29(25)27-19-13-7-3-8-14-19)16-10-4-9-15-20(17-22)28(24)26-18-11-5-2-6-12-18/h2-16,20H/b10-4+,15-9+,21-16+