(9-butyl-6-octadecanoyloxy-9-azabicyclo[3.3.1]nonan-2-yl) octadecanoate

Systemtic Name: (9-butyl-6-octadecanoyloxy-9-azabicyclo[3.3.1]nonan-2-yl) octadecanoate Openeye Name: (9-butyl-6-octadecanoyloxy-9-azabicyclo[3.3.1]nonan-2-yl) octadecanoate CAS Name: octadecanoic acid [9-butyl-6-(1-oxooctadecoxy)-9-azabicyclo[3.3.1]nonan-2-yl] ester IUPAC Name: (9-butyl-6-octadecanoyloxy-9-azabicyclo[3.3.1]nonan-2-yl) octadecanoate Traditional Name: stearic acid (9-butyl-6-stearoyloxy-9-azabicyclo[3.3.1]nonan-2-yl) ester Formula: C48H91NO4 MolecularWeight: 746.24044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1CCC2C(CCC1N2CCCC)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC1CCC2C(CCC1N2CCCC)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C48H91NO4/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-32-34-36-47(50)52-45-40-38-44-46(41-39-43(45)49(44)42-9-6-3)53-48(51)37-35-33-31-29-27-25-23-21-19-17-15-13-11-8-5-2/h43-46H,4-42H2,1-3H3