(7-cyanatonaphthalen-2-yl) cyanate; (3,6-dicyanatonaphthalen-1-yl) cyanate

Systemtic Name: (7-cyanatonaphthalen-2-yl) cyanate; (3,6-dicyanatonaphthalen-1-yl) cyanate Openeye Name: (7-cyanato-2-naphthyl) cyanate; (3,6-dicyanato-1-naphthyl) cyanate CAS Name: cyanic acid (7-cyanato-2-naphthalenyl) ester; cyanic acid (3,6-dicyanato-1-naphthalenyl) ester IUPAC Name: (7-cyanatonaphthalen-2-yl) cyanate; (3,6-dicyanatonaphthalen-1-yl) cyanate Traditional Name: cyanic acid (7-cyanato-2-naphthyl) ester; cyanic acid (3,6-dicyanato-1-naphthyl) ester Formula: C25H11N5O5 MolecularWeight: 461.38534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CC(=C2)OC#N)OC#N.C1=CC2=C(C=C(C=C2C=C1OC#N)OC#N)OC#N

Isomeric SMILES

C1=CC(=CC2=C1C=CC(=C2)OC#N)OC#N.C1=CC2=C(C=C(C=C2C=C1OC#N)OC#N)OC#N

InChI

InChI=1S/C13H5N3O3.C12H6N2O2/c14-6-17-10-1-2-12-9(3-10)4-11(18-7-15)5-13(12)19-8-16;13-7-15-11-3-1-9-2-4-12(16-8-14)6-10(9)5-11/h1-5H;1-6H