4-(3-azanyl-6-fluoranyl-2H-1,3,5-triazin-4-yl)naphthalene-2,7-disulfonic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1N=C(N=C(N1N)C2=C3C=CC(=CC3=CC(=C2)S(=O)(=O)O)S(=O)(=O)O)F

Isomeric SMILES

C1N=C(N=C(N1N)C2=C3C=CC(=CC3=CC(=C2)S(=O)(=O)O)S(=O)(=O)O)F

InChI

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