1-[5-[4-(5-undecylpyrimidin-2-yl)phenoxy]pentoxy]pentan-3-yl methanesulfonate

Systemtic Name: 1-[5-[4-(5-undecylpyrimidin-2-yl)phenoxy]pentoxy]pentan-3-yl methanesulfonate Openeye Name: [1-ethyl-3-[5-[4-(5-undecylpyrimidin-2-yl)phenoxy]pentoxy]propyl] methanesulfonate CAS Name: methanesulfonic acid 1-[5-[4-(5-undecyl-2-pyrimidinyl)phenoxy]pentoxy]pentan-3-yl ester IUPAC Name: 1-[5-[4-(5-undecylpyrimidin-2-yl)phenoxy]pentoxy]pentan-3-yl methanesulfonate Traditional Name: methanesulfonic acid [1-ethyl-3-[5-[4-(5-undecylpyrimidin-2-yl)phenoxy]pentoxy]propyl] ester Formula: C32H52N2O5S MolecularWeight: 576.83068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCCCCOCCC(CC)OS(=O)(=O)C

Isomeric SMILES

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCCCCOCCC(CC)OS(=O)(=O)C

InChI

InChI=1S/C32H52N2O5S/c1-4-6-7-8-9-10-11-12-14-17-28-26-33-32(34-27-28)29-18-20-31(21-19-29)38-24-16-13-15-23-37-25-22-30(5-2)39-40(3,35)36/h18-21,26-27,30H,4-17,22-25H2,1-3H3