1,3,5-tris(1,3-benzodioxol-5-ylmethyl)-1,3,5-triazinane-2,4,6-triimine

Systemtic Name: 1,3,5-tris(1,3-benzodioxol-5-ylmethyl)-1,3,5-triazinane-2,4,6-triimine Openeye Name: 1,3,5-tris(1,3-benzodioxol-5-ylmethyl)-1,3,5-triazinane-2,4,6-triimine CAS Name: 1,3,5-tris(1,3-benzodioxol-5-ylmethyl)-1,3,5-triazinane-2,4,6-triimine IUPAC Name: 1,3,5-tris(1,3-benzodioxol-5-ylmethyl)-1,3,5-triazinane-2,4,6-triimine Traditional Name: (4,6-diimino-1,3,5-tripiperonyl-1,3,5-triazinan-2-ylidene)amine Formula: C27H24N6O6 MolecularWeight: 528.51606

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=N)N(C(=N)N(C3=N)CC4=CC5=C(C=C4)OCO5)CC6=CC7=C(C=C6)OCO7

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=N)N(C(=N)N(C3=N)CC4=CC5=C(C=C4)OCO5)CC6=CC7=C(C=C6)OCO7

InChI

InChI=1S/C27H24N6O6/c28-25-31(10-16-1-4-19-22(7-16)37-13-34-19)26(29)33(12-18-3-6-21-24(9-18)39-15-36-21)27(30)32(25)11-17-2-5-20-23(8-17)38-14-35-20/h1-9,28-30H,10-15H2