2-[2-[3-(12-cyclohexyldodecoxy)-2-pyrimidin-2-yloxy-propoxy]ethoxy]ethyl methanesulfonate

Systemtic Name: 2-[2-[3-(12-cyclohexyldodecoxy)-2-pyrimidin-2-yloxy-propoxy]ethoxy]ethyl methanesulfonate Openeye Name: 2-[2-[3-(12-cyclohexyldodecoxy)-2-pyrimidin-2-yloxy-propoxy]ethoxy]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[2-[3-(12-cyclohexyldodecoxy)-2-(2-pyrimidinyloxy)propoxy]ethoxy]ethyl ester IUPAC Name: 2-[2-[3-(12-cyclohexyldodecoxy)-2-pyrimidin-2-yloxypropoxy]ethoxy]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[2-[3-(12-cyclohexyldodecoxy)-2-(2-pyrimidyloxy)propoxy]ethoxy]ethyl ester Formula: C30H54N2O7S MolecularWeight: 586.82396

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCOCCOCC(COCCCCCCCCCCCCC1CCCCC1)OC2=NC=CC=N2

Isomeric SMILES

CS(=O)(=O)OCCOCCOCC(COCCCCCCCCCCCCC1CCCCC1)OC2=NC=CC=N2

InChI

InChI=1S/C30H54N2O7S/c1-40(33,34)38-25-24-35-22-23-37-27-29(39-30-31-19-15-20-32-30)26-36-21-14-9-7-5-3-2-4-6-8-11-16-28-17-12-10-13-18-28/h15,19-20,28-29H,2-14,16-18,21-27H2,1H3