3-octadecoxypentyl pentoxy(2-pyrimidin-2-yloxypropylsulfinyl)methanesulfonate

Systemtic Name: 3-octadecoxypentyl pentoxy(2-pyrimidin-2-yloxypropylsulfinyl)methanesulfonate Openeye Name: 3-octadecoxypentyl pentoxy(2-pyrimidin-2-yloxypropylsulfinyl)methanesulfonate CAS Name: pentoxy-[2-(2-pyrimidinyloxy)propylsulfinyl]methanesulfonic acid 3-octadecoxypentyl ester IUPAC Name: 3-octadecoxypentyl pentoxy(2-pyrimidin-2-yloxypropylsulfinyl)methanesulfonate Traditional Name: amoxy-[2-(2-pyrimidyloxy)propylsulfinyl]methanesulfonic acid 3-stearyloxypentyl ester Formula: C36H68N2O7S2 MolecularWeight: 705.06432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(CC)CCOS(=O)(=O)C(OCCCCC)S(=O)CC(C)OC1=NC=CC=N1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(CC)CCOS(=O)(=O)C(OCCCCC)S(=O)CC(C)OC1=NC=CC=N1

InChI

InChI=1S/C36H68N2O7S2/c1-5-8-10-11-12-13-14-15-16-17-18-19-20-21-22-24-29-42-34(7-3)26-31-44-47(40,41)36(43-30-23-9-6-2)46(39)32-33(4)45-35-37-27-25-28-38-35/h25,27-28,33-34,36H,5-24,26,29-32H2,1-4H3