7-[3-(dihexadecylamino)-2-oxidanyl-propyl]-1,4,7,10-tetrazacyclododecane-1-carbaldehyde

Systemtic Name: 7-[3-(dihexadecylamino)-2-oxidanyl-propyl]-1,4,7,10-tetrazacyclododecane-1-carbaldehyde Openeye Name: 7-[3-(dihexadecylamino)-2-hydroxy-propyl]-1,4,7,10-tetrazacyclododecane-1-carbaldehyde CAS Name: 7-[3-(dihexadecylamino)-2-hydroxypropyl]-1,4,7,10-tetrazacyclododecane-1-carboxaldehyde IUPAC Name: 7-[3-(dihexadecylamino)-2-hydroxypropyl]-1,4,7,10-tetrazacyclododecane-1-carbaldehyde Traditional Name: 7-[3-(dicetylamino)-2-hydroxy-propyl]-1,4,7,10-tetrazacyclododecane-1-carbaldehyde Formula: C44H91N5O2 MolecularWeight: 722.22564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)CC(CN1CCNCCN(CCNCC1)C=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)CC(CN1CCNCCN(CCNCC1)C=O)O

InChI

InChI=1S/C44H91N5O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35-47(36-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)41-44(51)42-48-37-31-45-33-39-49(43-50)40-34-46-32-38-48/h43-46,51H,3-42H2,1-2H3