methanesulfonic acid; 1-pyrimidin-5-yl-1-[4-(trifluoromethyloxy)phenyl]decan-1-ol

Systemtic Name: methanesulfonic acid; 1-pyrimidin-5-yl-1-[4-(trifluoromethyloxy)phenyl]decan-1-ol Openeye Name: methanesulfonic acid; 1-pyrimidin-5-yl-1-[4-(trifluoromethoxy)phenyl]decan-1-ol CAS Name: methanesulfonic acid; 1-(5-pyrimidinyl)-1-[4-(trifluoromethoxy)phenyl]-1-decanol IUPAC Name: methanesulfonic acid; 1-pyrimidin-5-yl-1-[4-(trifluoromethoxy)phenyl]decan-1-ol Traditional Name: mesylic acid; 1-(5-pyrimidyl)-1-[4-(trifluoromethoxy)phenyl]decan-1-ol Formula: C22H31F3N2O5S MolecularWeight: 492.55215

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C1=CC=C(C=C1)OC(F)(F)F)(C2=CN=CN=C2)O.CS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCC(C1=CC=C(C=C1)OC(F)(F)F)(C2=CN=CN=C2)O.CS(=O)(=O)O

InChI

InChI=1S/C21H27F3N2O2.CH4O3S/c1-2-3-4-5-6-7-8-13-20(27,18-14-25-16-26-15-18)17-9-11-19(12-10-17)28-21(22,23)24;1-5(2,3)4/h9-12,14-16,27H,2-8,13H2,1H3;1H3,(H,2,3,4)