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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1N=C(NC(=N1)F)C2=C3C(=C(C=C2N)S(=O)(=O)O)C=CC=C3S(=O)(=O)O

Isomeric SMILES

C1N=C(NC(=N1)F)C2=C3C(=C(C=C2N)S(=O)(=O)O)C=CC=C3S(=O)(=O)O

InChI

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