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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-propanone oxime

Inventory

Synonyms

Molecular and structural information

Molecular formula:
C72 H118 N14 O14
Molecular weight:
1 403.81
SMILES notation:
C1(=O)N(CC2(C)CC(C)(C)CC(C2)NC(=O)ON=C(C)C)C(=O)N(CC3(C)CC(C)(C)CC(C3)NC(=O)ON=C(C)C)C(=O)N1CC4(C)CC(C)(C)CC(C4)N5C(=O)N(C6CC(C)(C)CC(C6)(C)CNC(=O)ON=C(C)C)C(=O)N(C5(=O))(C7CC(C)(C)CC(C7)(C)CNC(=O)ON=C(C)C)
InChl:
InChI=1S/C72H118N14O14/c1-44(2)77-97-53(87)73-39-68(19)31-50(28-65(13,14)34-68)84-60(94)85(51-29-66(15,16)35-69(20,32-51)40-74-54(88)98-78-45(3)4)62(96)86(61(84)95)52-30-67(17,18)38-72(23,33-52)43-83-58(92)81(41-70(21)26-48(24-63(9,10)36-70)75-55(89)99-79-46(5)6)57(91)82(59(83)93)42-71(22)27-49(25-64(11,12)37-71)76-56(90)100-80-47(7)8/h48-52H,24-43H2,1-23H3,(H,73,87)(H,74,88)(H,75,89)(H,76,90)
Structural formula:
Chemical structure

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