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

Systemtic Name: 7-[3-(dioctylamino)-2-oxidanyl-propyl]-1,4,7,10-tetrazacyclododecane-1-carbaldehyde Openeye Name: 7-[3-(dioctylamino)-2-hydroxy-propyl]-1,4,7,10-tetrazacyclododecane-1-carbaldehyde CAS Name: 7-[3-(dioctylamino)-2-hydroxypropyl]-1,4,7,10-tetrazacyclododecane-1-carboxaldehyde IUPAC Name: 7-[3-(dioctylamino)-2-hydroxypropyl]-1,4,7,10-tetrazacyclododecane-1-carbaldehyde Traditional Name: 7-[3-(dioctylamino)-2-hydroxy-propyl]-1,4,7,10-tetrazacyclododecane-1-carbaldehyde Formula: C28H59N5O2 MolecularWeight: 497.80036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCCCCCC)CC(CN1CCNCCN(CCNCC1)C=O)O

Isomeric SMILES

CCCCCCCCN(CCCCCCCC)CC(CN1CCNCCN(CCNCC1)C=O)O

InChI

InChI=1S/C28H59N5O2/c1-3-5-7-9-11-13-19-31(20-14-12-10-8-6-4-2)25-28(35)26-32-21-15-29-17-23-33(27-34)24-18-30-16-22-32/h27-30,35H,3-26H2,1-2H3