[3-cyanato-4-[(2,4-dicyanato-3,5-dimethyl-phenyl)methyl]-2,6-dimethyl-phenyl] cyanate

Systemtic Name: [3-cyanato-4-[(2,4-dicyanato-3,5-dimethyl-phenyl)methyl]-2,6-dimethyl-phenyl] cyanate Openeye Name: [3-cyanato-4-[(2,4-dicyanato-3,5-dimethyl-phenyl)methyl]-2,6-dimethyl-phenyl] cyanate CAS Name: cyanic acid [3-cyanato-4-[(2,4-dicyanato-3,5-dimethylphenyl)methyl]-2,6-dimethylphenyl] ester IUPAC Name: [3-cyanato-4-[(2,4-dicyanato-3,5-dimethylphenyl)methyl]-2,6-dimethylphenyl] cyanate Traditional Name: cyanic acid [3-cyanato-4-(2,4-dicyanato-3,5-dimethyl-benzyl)-2,6-dimethyl-phenyl] ester Formula: C21H16N4O4 MolecularWeight: 388.37614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1OC#N)C)OC#N)CC2=C(C(=C(C(=C2)C)OC#N)C)OC#N

Isomeric SMILES

CC1=CC(=C(C(=C1OC#N)C)OC#N)CC2=C(C(=C(C(=C2)C)OC#N)C)OC#N

InChI

InChI=1S/C21H16N4O4/c1-12-5-16(20(28-10-24)14(3)18(12)26-8-22)7-17-6-13(2)19(27-9-23)15(4)21(17)29-11-25/h5-6H,7H2,1-4H3