8-(6-azanyl-4-fluoranyl-2H-1,3,5-triazin-1-yl)naphthalene-1,3,5-trisulfonic acid

Systemtic Name: 8-(6-azanyl-4-fluoranyl-2H-1,3,5-triazin-1-yl)naphthalene-1,3,5-trisulfonic acid Openeye Name: 8-(6-amino-4-fluoro-2H-1,3,5-triazin-1-yl)naphthalene-1,3,5-trisulfonic acid CAS Name: 8-(6-amino-4-fluoro-2H-1,3,5-triazin-1-yl)naphthalene-1,3,5-trisulfonic acid IUPAC Name: 8-(6-amino-4-fluoro-2H-1,3,5-triazin-1-yl)naphthalene-1,3,5-trisulfonic acid Traditional Name: 8-(6-amino-4-fluoro-2H-s-triazin-1-yl)naphthalene-1,3,5-trisulfonic acid Formula: C13H11FN4O9S3 MolecularWeight: 482.441243

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Descriptors Computed from Structure

Canonical SMILES:

C1N=C(N=C(N1C2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)N)F

Isomeric SMILES

C1N=C(N=C(N1C2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)N)F

InChI

InChI=1S/C13H11FN4O9S3/c14-12-16-5-18(13(15)17-12)8-1-2-9(29(22,23)24)7-3-6(28(19,20)21)4-10(11(7)8)30(25,26)27/h1-4H,5H2,(H2,15,16,17)(H,19,20,21)(H,22,23,24)(H,25,26,27)