ethyl ethoxy-(4-octadecoxy-3-pyrimidin-2-yloxy-butyl)sulfinyl-methanesulfonate

Systemtic Name: ethyl ethoxy-(4-octadecoxy-3-pyrimidin-2-yloxy-butyl)sulfinyl-methanesulfonate Openeye Name: ethyl ethoxy-(4-octadecoxy-3-pyrimidin-2-yloxy-butyl)sulfinyl-methanesulfonate CAS Name: ethoxy-[4-octadecoxy-3-(2-pyrimidinyloxy)butyl]sulfinylmethanesulfonic acid ethyl ester IUPAC Name: ethyl ethoxy-(4-octadecoxy-3-pyrimidin-2-yloxybutyl)sulfinylmethanesulfonate Traditional Name: ethoxy-[3-(2-pyrimidyloxy)-4-stearyloxy-butyl]sulfinyl-methanesulfonic acid ethyl ester Formula: C31H58N2O7S2 MolecularWeight: 634.93142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CCS(=O)C(OCC)S(=O)(=O)OCC)OC1=NC=CC=N1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CCS(=O)C(OCC)S(=O)(=O)OCC)OC1=NC=CC=N1

InChI

InChI=1S/C31H58N2O7S2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-37-28-29(40-30-32-24-22-25-33-30)23-27-41(34)31(38-5-2)42(35,36)39-6-3/h22,24-25,29,31H,4-21,23,26-28H2,1-3H3