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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1N=C(N=C(N1C2=C3C(=C(C=C2)S(=O)(=O)O)C=CC=C3S(=O)(=O)O)N)F

Isomeric SMILES

C1N=C(N=C(N1C2=C3C(=C(C=C2)S(=O)(=O)O)C=CC=C3S(=O)(=O)O)N)F

InChI

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