1,3-bis[(4-isocyanatophenyl)methyl]benzene cyanate

Systemtic Name: 1,3-bis[(4-isocyanatophenyl)methyl]benzene cyanate Openeye Name: 1,3-bis[(4-isocyanatophenyl)methyl]benzene cyanate CAS Name: 1,3-bis[(4-isocyanatophenyl)methyl]benzene cyanate IUPAC Name: 1,3-bis[(4-isocyanatophenyl)methyl]benzene cyanate Traditional Name: 1,3-bis(4-isocyanatobenzyl)benzene cyanate Formula: C23H16N3O3- MolecularWeight: 382.39144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CC2=CC=C(C=C2)N=C=O)CC3=CC=C(C=C3)N=C=O.C(#N)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)CC2=CC=C(C=C2)N=C=O)CC3=CC=C(C=C3)N=C=O.C(#N)[O-]

InChI

InChI=1S/C22H16N2O2.CHNO/c25-15-23-21-8-4-17(5-9-21)12-19-2-1-3-20(14-19)13-18-6-10-22(11-7-18)24-16-26;2-1-3/h1-11,14H,12-13H2;3H/p-1