3-[(6-fluoranyl-1,4-dihydro-1,3,5-triazin-2-yl)amino]naphthalene-1,7-disulfonic acid

Systemtic Name: 3-[(6-fluoranyl-1,4-dihydro-1,3,5-triazin-2-yl)amino]naphthalene-1,7-disulfonic acid Openeye Name: 3-[(6-fluoro-1,4-dihydro-1,3,5-triazin-2-yl)amino]naphthalene-1,7-disulfonic acid CAS Name: 3-[(6-fluoro-1,4-dihydro-1,3,5-triazin-2-yl)amino]naphthalene-1,7-disulfonic acid IUPAC Name: 3-[(6-fluoro-1,4-dihydro-1,3,5-triazin-2-yl)amino]naphthalene-1,7-disulfonic acid Traditional Name: 3-[(6-fluoro-1,4-dihydro-s-triazin-2-yl)amino]naphthalene-1,7-disulfonic acid Formula: C13H11FN4O6S2 MolecularWeight: 402.378043

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Descriptors Computed from Structure

Canonical SMILES:

C1N=C(NC(=N1)F)NC2=CC(=C3C=C(C=CC3=C2)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1N=C(NC(=N1)F)NC2=CC(=C3C=C(C=CC3=C2)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C13H11FN4O6S2/c14-12-15-6-16-13(18-12)17-8-3-7-1-2-9(25(19,20)21)5-10(7)11(4-8)26(22,23)24/h1-5H,6H2,(H,19,20,21)(H,22,23,24)(H2,15,16,17,18)