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29-(11-azidoundecoxy)-6-(triphenylmethyl)-1,3,9,11,27,32-hexaoxa-6-azacycloheptatetracontane
29-(11-azidoundecoxy)-6-(triphenylmethyl)-1,3,9,11,27,32-hexaoxa-6-azacycloheptatetracontane
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Descriptors Computed from Structure
Canonical SMILES:
C1CCCCCCCOCCC(COCCCCCCCCCCCCCCCOCOCCN(CCOCOCCCCCCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OCCCCCCCCCCCN=[N+]=[N-]
Isomeric SMILES
C1CCCCCCCOCCC(COCCCCCCCCCCCCCCCOCOCCN(CCOCOCCCCCCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OCCCCCCCCCCCN=[N+]=[N-]
InChI
InChI=1S/C70H116N4O7/c71-73-72-52-39-24-18-12-11-17-23-29-44-59-81-69-51-60-75-55-40-25-19-13-7-3-1-5-9-15-21-27-42-57-77-64-79-61-53-74(70(66-45-33-30-34-46-66,67-47-35-31-36-48-67)68-49-37-32-38-50-68)54-62-80-65-78-58-43-28-22-16-10-6-2-4-8-14-20-26-41-56-76-63-69/h30-38,45-50,69H,1-29,39-44,51-65H2
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