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

Systemtic Name: 2,4,6-tris(3,4-dihexadecoxyphenyl)-2H-1,3,5-triazin-1-amine Openeye Name: 2,4,6-tris(3,4-dihexadecoxyphenyl)-2H-1,3,5-triazin-1-amine CAS Name: 2,4,6-tris(3,4-dihexadecoxyphenyl)-2H-1,3,5-triazin-1-amine IUPAC Name: 2,4,6-tris(3,4-dihexadecoxyphenyl)-2H-1,3,5-triazin-1-amine Traditional Name: [2,4,6-tris(3,4-dicetyloxyphenyl)-2H-s-triazin-1-yl]amine Formula: C117H210N4O6 MolecularWeight: 1768.9425

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C2N=C(N=C(N2N)C3=CC(=C(C=C3)OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC)C4=CC(=C(C=C4)OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C2N=C(N=C(N2N)C3=CC(=C(C=C3)OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC)C4=CC(=C(C=C4)OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC

InChI

InChI=1S/C117H210N4O6/c1-7-13-19-25-31-37-43-49-55-61-67-73-79-85-97-122-109-94-91-106(103-112(109)125-100-88-82-76-70-64-58-52-46-40-34-28-22-16-10-4)115-119-116(107-92-95-110(123-98-86-80-74-68-62-56-50-44-38-32-26-20-14-8-2)113(104-107)126-101-89-83-77-71-65-59-53-47-41-35-29-23-17-11-5)121(118)117(120-115)108-93-96-111(124-99-87-81-75-69-63-57-51-45-39-33-27-21-15-9-3)114(105-108)127-102-90-84-78-72-66-60-54-48-42-36-30-24-18-12-6/h91-96,103-105,116H,7-90,97-102,118H2,1-6H3