2-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-1-oxido-pyridin-1-ium CAS Name: 2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-1-oxidopyridin-1-ium IUPAC Name: 2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-1-oxidopyridin-1-ium Traditional Name: 2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-1-oxido-pyridin-1-ium Formula: C20H16FNO3S MolecularWeight: 369.409343

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)CSC4=CC=CC=[N+]4[O-])F

Isomeric SMILES

C1C2=CC(=CC(=C2O[C@H](O1)C3=CC=CC=C3)CSC4=CC=CC=[N+]4[O-])F

InChI

InChI=1S/C20H16FNO3S/c21-17-10-15-12-24-20(14-6-2-1-3-7-14)25-19(15)16(11-17)13-26-18-8-4-5-9-22(18)23/h1-11,20H,12-13H2/t20-/m0/s1