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

Systemtic Name: 7-(3-fluoranyl-2H-1,3,5-triazin-4-yl)naphthalene-1,3,5-trisulfonic acid Openeye Name: 7-(3-fluoro-2H-1,3,5-triazin-4-yl)naphthalene-1,3,5-trisulfonic acid CAS Name: 7-(3-fluoro-2H-1,3,5-triazin-4-yl)naphthalene-1,3,5-trisulfonic acid IUPAC Name: 7-(3-fluoro-2H-1,3,5-triazin-4-yl)naphthalene-1,3,5-trisulfonic acid Traditional Name: 7-(3-fluoro-2H-s-triazin-4-yl)naphthalene-1,3,5-trisulfonic acid Formula: C13H10FN3O9S3 MolecularWeight: 467.426603

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Descriptors Computed from Structure

Canonical SMILES:

C1N=CN=C(N1F)C2=CC(=C3C=C(C=C(C3=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1N=CN=C(N1F)C2=CC(=C3C=C(C=C(C3=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C13H10FN3O9S3/c14-17-6-15-5-16-13(17)7-1-9-10(11(2-7)28(21,22)23)3-8(27(18,19)20)4-12(9)29(24,25)26/h1-5H,6H2,(H,18,19,20)(H,21,22,23)(H,24,25,26)