7-azanyl-8-(6-fluoranyl-1,4-dihydro-1,3,5-triazin-2-yl)naphthalene-1,3-disulfonic acid

Systemtic Name: 7-azanyl-8-(6-fluoranyl-1,4-dihydro-1,3,5-triazin-2-yl)naphthalene-1,3-disulfonic acid Openeye Name: 7-amino-8-(6-fluoro-1,4-dihydro-1,3,5-triazin-2-yl)naphthalene-1,3-disulfonic acid CAS Name: 7-amino-8-(6-fluoro-1,4-dihydro-1,3,5-triazin-2-yl)naphthalene-1,3-disulfonic acid IUPAC Name: 7-amino-8-(6-fluoro-1,4-dihydro-1,3,5-triazin-2-yl)naphthalene-1,3-disulfonic acid Traditional Name: 7-amino-8-(6-fluoro-1,4-dihydro-s-triazin-2-yl)naphthalene-1,3-disulfonic acid Formula: C13H11FN4O6S2 MolecularWeight: 402.378043

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Descriptors Computed from Structure

Canonical SMILES:

C1N=C(NC(=N1)F)C2=C(C=CC3=CC(=CC(=C32)S(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

C1N=C(NC(=N1)F)C2=C(C=CC3=CC(=CC(=C32)S(=O)(=O)O)S(=O)(=O)O)N

InChI

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