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Reference substances

Reference substances

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General information

Inventory

No inventory information available

Reference substance information

IUPAC name:
1,1'-(hexane-1,6-diylbis{[5-(6-isocyanatohexyl)-2,4-6-trioxo-1,3,5-triazinane-3,1-diyl]hexane-6,1-diyl})bis[3,5-bis(6-isocyanatohexyl)-1,3,5-triazinane-2,4,6-trione]

Molecular and structural information

Molecular formula:
C72H108N18O18
Molecular weight:
ca. 1 513.7
SMILES notation:
C(CCCn1c(=O)n(c(=O)n(c1=O)CCCCCCn2c(=O)n(c(=O)n(c2=O)CCCCCCn3c(=O)n(c(=O)n(c3=O)CCCCCCn4c(=O)n(c(=O)n(c4=O)CCCCCCN=C=O)CCCCCCN=C=O)CCCCCCN=C=O)CCCCCCN=C=O)CCCCCCN=C=O)CCN=C=O
InChl:
InChl=1/C72H108N18O18/c91-55-73-37-19-1-7-25-43-79-61(97)80(44-26-8-2-20-38-74-56-92)64(100)85(63(79)99)49-31-13-15-33-51-87-67(103)83(47-29-11-5-23-41-77-59-95)69(105)89(71(87)107)53-35-17-18-36-54-90-70(106)84(48-30-12-6-24-42-78-60-96)68(104)88(72(90)108)52-34-16-14-32-50-86-65(101)81(45-27-9-3-21-39-75-57-93)62(98)82(66(86)102)46-28-10-4-22-40-76-58-94/h1-54H2
Structural formula:
Chemical structure