2,4,6-tris(3,4-didecoxyphenyl)-2H-1,3,5-triazin-1-amine

Systemtic Name: 2,4,6-tris(3,4-didecoxyphenyl)-2H-1,3,5-triazin-1-amine Openeye Name: 2,4,6-tris(3,4-didecoxyphenyl)-2H-1,3,5-triazin-1-amine CAS Name: 2,4,6-tris(3,4-didecoxyphenyl)-2H-1,3,5-triazin-1-amine IUPAC Name: 2,4,6-tris(3,4-didecoxyphenyl)-2H-1,3,5-triazin-1-amine Traditional Name: [2,4,6-tris(3,4-didecoxyphenyl)-2H-s-triazin-1-yl]amine Formula: C81H138N4O6 MolecularWeight: 1263.98562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)C2N=C(N=C(N2N)C3=CC(=C(C=C3)OCCCCCCCCCC)OCCCCCCCCCC)C4=CC(=C(C=C4)OCCCCCCCCCC)OCCCCCCCCCC)OCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)C2N=C(N=C(N2N)C3=CC(=C(C=C3)OCCCCCCCCCC)OCCCCCCCCCC)C4=CC(=C(C=C4)OCCCCCCCCCC)OCCCCCCCCCC)OCCCCCCCCCC

InChI

InChI=1S/C81H138N4O6/c1-7-13-19-25-31-37-43-49-61-86-73-58-55-70(67-76(73)89-64-52-46-40-34-28-22-16-10-4)79-83-80(71-56-59-74(87-62-50-44-38-32-26-20-14-8-2)77(68-71)90-65-53-47-41-35-29-23-17-11-5)85(82)81(84-79)72-57-60-75(88-63-51-45-39-33-27-21-15-9-3)78(69-72)91-66-54-48-42-36-30-24-18-12-6/h55-60,67-69,80H,7-54,61-66,82H2,1-6H3