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Reference substances

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IUPAC name:
3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate, oligomerization product (isocyanurate type), n=5, blocked with 2-butanone oxime

Inventory

Synonyms

Molecular and structural information

Molecular formula:
C76 H126 N14 O14
Molecular weight:
1 459.92
SMILES notation:
C1(=O)N(CC2(C)CC(C)(C)CC(C2)NC(=O)ON=C(C)CC)C(=O)N(CC3(C)CC(C)(C)CC(C3)NC(=O)ON=C(C)CC)C(=O)N1CC4(C)CC(C)(C)CC(C4)N5C(=O)N(C6CC(C)(C)CC(C6)(C)CNC(=O)ON=C(C)CC)C(=O)N(C5(=O))(C7CC(C)(C)CC(C7)(C)CNC(=O)ON=C(C)CC)
InChl:
InChI=1S/C76H126N14O14/c1-24-48(5)81-101-57(91)77-43-72(19)35-54(32-69(13,14)38-72)88-64(98)89(55-33-70(15,16)39-73(20,36-55)44-78-58(92)102-82-49(6)25-2)66(100)90(65(88)99)56-34-71(17,18)42-76(23,37-56)47-87-62(96)85(45-74(21)30-52(28-67(9,10)40-74)79-59(93)103-83-50(7)26-3)61(95)86(63(87)97)46-75(22)31-53(29-68(11,12)41-75)80-60(94)104-84-51(8)27-4/h52-56H,24-47H2,1-23H3,(H,77,91)(H,78,92)(H,79,93)(H,80,94)/b81-48+,82-49+,83-50+,84-51+
Structural formula:
Chemical structure

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