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

Systemtic Name: 2-[(4-azanyl-6-fluoranyl-1,3,5-triazin-2-yl)amino]benzene-1,4-disulfonic acid Openeye Name: 2-[(4-amino-6-fluoro-1,3,5-triazin-2-yl)amino]benzene-1,4-disulfonic acid CAS Name: 2-[(4-amino-6-fluoro-1,3,5-triazin-2-yl)amino]benzene-1,4-disulfonic acid IUPAC Name: 2-[(4-amino-6-fluoro-1,3,5-triazin-2-yl)amino]benzene-1,4-disulfonic acid Traditional Name: 2-[(4-amino-6-fluoro-s-triazin-2-yl)amino]benzene-1,4-disulfonic acid Formula: C9H8FN5O6S2 MolecularWeight: 365.318123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)O)NC2=NC(=NC(=N2)N)F)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)O)NC2=NC(=NC(=N2)N)F)S(=O)(=O)O

InChI

InChI=1S/C9H8FN5O6S2/c10-7-13-8(11)15-9(14-7)12-5-3-4(22(16,17)18)1-2-6(5)23(19,20)21/h1-3H,(H,16,17,18)(H,19,20,21)(H3,11,12,13,14,15)