4-[(6-fluoranyl-1,4-dihydro-1,3,5-triazin-2-yl)amino]benzene-1,3-disulfonic acid

Systemtic Name: 4-[(6-fluoranyl-1,4-dihydro-1,3,5-triazin-2-yl)amino]benzene-1,3-disulfonic acid Openeye Name: 4-[(6-fluoro-1,4-dihydro-1,3,5-triazin-2-yl)amino]benzene-1,3-disulfonic acid CAS Name: 4-[(6-fluoro-1,4-dihydro-1,3,5-triazin-2-yl)amino]benzene-1,3-disulfonic acid IUPAC Name: 4-[(6-fluoro-1,4-dihydro-1,3,5-triazin-2-yl)amino]benzene-1,3-disulfonic acid Traditional Name: 4-[(6-fluoro-1,4-dihydro-s-triazin-2-yl)amino]benzene-1,3-disulfonic acid Formula: C9H9FN4O6S2 MolecularWeight: 352.319363

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Descriptors Computed from Structure

Canonical SMILES:

C1N=C(NC(=N1)F)NC2=C(C=C(C=C2)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1N=C(NC(=N1)F)NC2=C(C=C(C=C2)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C9H9FN4O6S2/c10-8-11-4-12-9(14-8)13-6-2-1-5(21(15,16)17)3-7(6)22(18,19)20/h1-3H,4H2,(H,15,16,17)(H,18,19,20)(H2,11,12,13,14)