1-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-1-pyrimidin-5-yl-dodecan-1-ol

Systemtic Name: 1-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-1-pyrimidin-5-yl-dodecan-1-ol Openeye Name: 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-pyrimidin-5-yl-dodecan-1-ol CAS Name: 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(5-pyrimidinyl)-1-dodecanol IUPAC Name: 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-pyrimidin-5-yldodecan-1-ol Traditional Name: 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(5-pyrimidyl)dodecan-1-ol Formula: C23H30F2N2O3 MolecularWeight: 420.492706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C1=CC2=C(C=C1)OC(O2)(F)F)(C3=CN=CN=C3)O

Isomeric SMILES

CCCCCCCCCCCC(C1=CC2=C(C=C1)OC(O2)(F)F)(C3=CN=CN=C3)O

InChI

InChI=1S/C23H30F2N2O3/c1-2-3-4-5-6-7-8-9-10-13-22(28,19-15-26-17-27-16-19)18-11-12-20-21(14-18)30-23(24,25)29-20/h11-12,14-17,28H,2-10,13H2,1H3