(2-oxidanyl-3-pyrimidin-2-yloxy-propyl) 4-methylbenzenesulfonate

Systemtic Name: (2-oxidanyl-3-pyrimidin-2-yloxy-propyl) 4-methylbenzenesulfonate Openeye Name: (2-hydroxy-3-pyrimidin-2-yloxy-propyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-hydroxy-3-(2-pyrimidinyloxy)propyl] ester IUPAC Name: (2-hydroxy-3-pyrimidin-2-yloxypropyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-hydroxy-3-(2-pyrimidyloxy)propyl] ester Formula: C14H16N2O5S MolecularWeight: 324.35224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(COC2=NC=CC=N2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(COC2=NC=CC=N2)O

InChI

InChI=1S/C14H16N2O5S/c1-11-3-5-13(6-4-11)22(18,19)21-10-12(17)9-20-14-15-7-2-8-16-14/h2-8,12,17H,9-10H2,1H3