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Reference substances

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IUPAC name:
1-[3-({3,5-bis[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl}methyl)-3,5,5-trimethylcyclohexyl]-3-[(5-{3,5-bis[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl}-1,3,3-trimethylcyclohexyl)methyl]-5-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-1,3,5-triazinane-2,4,6-trione

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Synonyms

Molecular and structural information

Molecular formula:
C84H126N14O14
Molecular weight:
1 556.03
SMILES notation:
O=C1N(CC2(C)CC(C)(C)CC(N=C=O)C2)C(=O)N(CC3(C)CC(C)(C)CC(N=C=O)C3)C(=O)N1CC4(C)CC(C)(C)CC(C4)N5C(=O)N(CC6(C)CC(C)(C)CC(N=C=O)C6)C(=O)N(C5=O)CC7(C)CC(C)(C)CC(C7)N8C(=O)N(CC9(C)CC(C)(C)CC(N=C=O)C9)C(=O)N(C8=O)CC1(C)CC(C)(C)CC(C1)N=C=O
InChl:
InChI=1S/C84H126N14O14/c1-71(2)22-55(85-50-99)27-78(15,36-71)43-90-62(104)91(44-79(16)28-56(86-51-100)23-72(3,4)37-79)64(106)92(63(90)105)48-83(20)34-60(32-76(11,12)41-83)98-69(111)95(47-82(19)31-59(89-54-103)26-75(9,10)40-82)66(108)96(70(98)112)49-84(21)35-61(33-77(13,14)42-84)97-67(109)93(45-80(17)29-57(87-52-101)24-73(5,6)38-80)65(107)94(68(97)110)46-81(18)30-58(88-53-102)25-74(7,8)39-81/h55-61H,22-49H2,1-21H3
Structural formula:
Chemical structure

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