7-(6-fluoranyl-1,4-dihydro-1,3,5-triazin-2-yl)naphthalene-1,3,6-trisulfonic acid

Systemtic Name: 7-(6-fluoranyl-1,4-dihydro-1,3,5-triazin-2-yl)naphthalene-1,3,6-trisulfonic acid Openeye Name: 7-(6-fluoro-1,4-dihydro-1,3,5-triazin-2-yl)naphthalene-1,3,6-trisulfonic acid CAS Name: 7-(6-fluoro-1,4-dihydro-1,3,5-triazin-2-yl)naphthalene-1,3,6-trisulfonic acid IUPAC Name: 7-(6-fluoro-1,4-dihydro-1,3,5-triazin-2-yl)naphthalene-1,3,6-trisulfonic acid Traditional Name: 7-(6-fluoro-1,4-dihydro-s-triazin-2-yl)naphthalene-1,3,6-trisulfonic acid Formula: C13H10FN3O9S3 MolecularWeight: 467.426603

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Descriptors Computed from Structure

Canonical SMILES:

C1N=C(NC(=N1)F)C2=C(C=C3C=C(C=C(C3=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1N=C(NC(=N1)F)C2=C(C=C3C=C(C=C(C3=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

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