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

Systemtic Name: 4-(6-fluoranyl-1,4-dihydro-1,3,5-triazin-2-yl)naphthalene-2,7-disulfonic acid Openeye Name: 4-(6-fluoro-1,4-dihydro-1,3,5-triazin-2-yl)naphthalene-2,7-disulfonic acid CAS Name: 4-(6-fluoro-1,4-dihydro-1,3,5-triazin-2-yl)naphthalene-2,7-disulfonic acid IUPAC Name: 4-(6-fluoro-1,4-dihydro-1,3,5-triazin-2-yl)naphthalene-2,7-disulfonic acid Traditional Name: 4-(6-fluoro-1,4-dihydro-s-triazin-2-yl)naphthalene-2,7-disulfonic acid Formula: C13H10FN3O6S2 MolecularWeight: 387.363403

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Descriptors Computed from Structure

Canonical SMILES:

C1N=C(NC(=N1)F)C2=C3C=CC(=CC3=CC(=C2)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1N=C(NC(=N1)F)C2=C3C=CC(=CC3=CC(=C2)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C13H10FN3O6S2/c14-13-16-6-15-12(17-13)11-5-9(25(21,22)23)4-7-3-8(24(18,19)20)1-2-10(7)11/h1-5H,6H2,(H,15,16,17)(H,18,19,20)(H,21,22,23)