5-[(6-fluoranyl-1H-1,2,3-triazin-2-yl)amino]benzene-1,3-disulfonic acid

Systemtic Name: 5-[(6-fluoranyl-1H-1,2,3-triazin-2-yl)amino]benzene-1,3-disulfonic acid Openeye Name: 5-[(6-fluoro-1H-triazin-2-yl)amino]benzene-1,3-disulfonic acid CAS Name: 5-[(6-fluoro-1H-triazin-2-yl)amino]benzene-1,3-disulfonic acid IUPAC Name: 5-[(6-fluoro-1H-triazin-2-yl)amino]benzene-1,3-disulfonic acid Traditional Name: 5-[(6-fluoro-1H-triazin-2-yl)amino]benzene-1,3-disulfonic acid Formula: C9H9FN4O6S2 MolecularWeight: 352.319363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(NN(N=C1)NC2=CC(=CC(=C2)S(=O)(=O)O)S(=O)(=O)O)F

Isomeric SMILES

C1=C(NN(N=C1)NC2=CC(=CC(=C2)S(=O)(=O)O)S(=O)(=O)O)F

InChI

InChI=1S/C9H9FN4O6S2/c10-9-1-2-11-14(13-9)12-6-3-7(21(15,16)17)5-8(4-6)22(18,19)20/h1-5,12-13H,(H,15,16,17)(H,18,19,20)