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Reference substances

Reference substances

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General information

Inventory

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Reference substance information

IUPAC name:
1-({5-[({[(E)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)-3-({5-[({[(Z)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)-5-[(6,8-dimethyl-4-oxa-2-azabicyclo[4.3.1]dec-2-en-8-yl)methyl]-1,3,5-triazinane-2,4,6-trione

Molecular and structural information

Molecular formula:
C44H72N8O8
Molecular weight:
ca. 841.09
SMILES notation:
C/C(CC)=N\OC(=O)NC1CC(C)(C)CC(C)(C1)CN3C(=O)N(C(=O)N(CC2(C)CC(C)(C)CC(NC(=O)O\N=C(\C)CC)C2)C3=O)C4CC5N=COCC(C)(CC4C)C5
InChl:
InChI=1S/C44H72N8O8/c1-13-29(4)48-59-35(53)46-32-17-40(6,7)22-43(11,20-32)24-50-37(55)51(25-44(12)21-33(18-41(8,9)23-44)47-36(54)60-49-30(5)14-2)39(57)52(38(50)56)34-15-31-19-42(10,16-28(34)3)26-58-27-45-31/h27-28,31-34H,13-26H2,1-12H3,(H,46,53)(H,47,54)/b48-29-,49-30+
Structural formula:
Chemical structure