1,1-diisocyanato-4-(3-isocyanatophenoxy)-3,3,5-trimethyl-2,6-diphenoxy-1,3,5-triazinane-1,3-diium

Systemtic Name: 1,1-diisocyanato-4-(3-isocyanatophenoxy)-3,3,5-trimethyl-2,6-diphenoxy-1,3,5-triazinane-1,3-diium Openeye Name: 1,1-diisocyanato-4-(3-isocyanatophenoxy)-3,3,5-trimethyl-2,6-diphenoxy-1,3,5-triazinane-1,3-diium CAS Name: 1,1-diisocyanato-4-(3-isocyanatophenoxy)-3,3,5-trimethyl-2,6-diphenoxy-1,3,5-triazinane-1,3-diium IUPAC Name: 1,1-diisocyanato-4-(3-isocyanatophenoxy)-3,3,5-trimethyl-2,6-diphenoxy-1,3,5-triazinane-1,3-diium Traditional Name: 1,1-diisocyanato-4-(3-isocyanatophenoxy)-3,3,5-trimethyl-2,6-diphenoxy-1,3,5-triazinane-1,3-diium Formula: C27H26N6O6+2 MolecularWeight: 530.53194

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Descriptors Computed from Structure

Canonical SMILES:

CN1C([N+](C([N+](C1OC2=CC=CC=C2)(N=C=O)N=C=O)OC3=CC=CC=C3)(C)C)OC4=CC=CC(=C4)N=C=O

Isomeric SMILES

CN1C([N+](C([N+](C1OC2=CC=CC=C2)(N=C=O)N=C=O)OC3=CC=CC=C3)(C)C)OC4=CC=CC(=C4)N=C=O

InChI

InChI=1S/C27H26N6O6/c1-31-25(38-24-16-10-11-21(17-24)28-18-34)32(2,3)27(39-23-14-8-5-9-15-23)33(29-19-35,30-20-36)26(31)37-22-12-6-4-7-13-22/h4-17,25-27H,1-3H3/q+2