5-[5-(3-octadecoxy-2-pyrimidin-2-yloxy-propyl)sulfonylpentoxy]pentyl methanesulfonate

Systemtic Name: 5-[5-(3-octadecoxy-2-pyrimidin-2-yloxy-propyl)sulfonylpentoxy]pentyl methanesulfonate Openeye Name: 5-[5-(3-octadecoxy-2-pyrimidin-2-yloxy-propyl)sulfonylpentoxy]pentyl methanesulfonate CAS Name: methanesulfonic acid 5-[5-[3-octadecoxy-2-(2-pyrimidinyloxy)propyl]sulfonylpentoxy]pentyl ester IUPAC Name: 5-[5-(3-octadecoxy-2-pyrimidin-2-yloxypropyl)sulfonylpentoxy]pentyl methanesulfonate Traditional Name: methanesulfonic acid 5-[5-[2-(2-pyrimidyloxy)-3-stearyloxy-propyl]sulfonylpentoxy]pentyl ester Formula: C36H68N2O8S2 MolecularWeight: 721.06372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CS(=O)(=O)CCCCCOCCCCCOS(=O)(=O)C)OC1=NC=CC=N1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CS(=O)(=O)CCCCCOCCCCCOS(=O)(=O)C)OC1=NC=CC=N1

InChI

InChI=1S/C36H68N2O8S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-30-44-33-35(46-36-37-26-25-27-38-36)34-48(41,42)32-24-19-22-29-43-28-21-18-23-31-45-47(2,39)40/h25-27,35H,3-24,28-34H2,1-2H3