2-[2-(3-octadecoxy-2-pyrimidin-2-yloxy-propyl)sulfanylethoxy]ethyl methanesulfonate

Systemtic Name: 2-[2-(3-octadecoxy-2-pyrimidin-2-yloxy-propyl)sulfanylethoxy]ethyl methanesulfonate Openeye Name: 2-[2-(3-octadecoxy-2-pyrimidin-2-yloxy-propyl)sulfanylethoxy]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[2-[[3-octadecoxy-2-(2-pyrimidinyloxy)propyl]thio]ethoxy]ethyl ester IUPAC Name: 2-[2-(3-octadecoxy-2-pyrimidin-2-yloxypropyl)sulfanylethoxy]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[2-[[2-(2-pyrimidyloxy)-3-stearyloxy-propyl]thio]ethoxy]ethyl ester Formula: C30H56N2O6S2 MolecularWeight: 604.90544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CSCCOCCOS(=O)(=O)C)OC1=NC=CC=N1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CSCCOCCOS(=O)(=O)C)OC1=NC=CC=N1

InChI

InChI=1S/C30H56N2O6S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-36-27-29(38-30-31-20-19-21-32-30)28-39-26-25-35-23-24-37-40(2,33)34/h19-21,29H,3-18,22-28H2,1-2H3