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

Systemtic Name: 7-azanyl-8-(6-fluoranyl-1,4-dihydro-1,3,5-triazin-2-yl)naphthalene-1,3,6-trisulfonic acid Openeye Name: 7-amino-8-(6-fluoro-1,4-dihydro-1,3,5-triazin-2-yl)naphthalene-1,3,6-trisulfonic acid CAS Name: 7-amino-8-(6-fluoro-1,4-dihydro-1,3,5-triazin-2-yl)naphthalene-1,3,6-trisulfonic acid IUPAC Name: 7-amino-8-(6-fluoro-1,4-dihydro-1,3,5-triazin-2-yl)naphthalene-1,3,6-trisulfonic acid Traditional Name: 7-amino-8-(6-fluoro-1,4-dihydro-s-triazin-2-yl)naphthalene-1,3,6-trisulfonic acid Formula: C13H11FN4O9S3 MolecularWeight: 482.441243

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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)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)S(=O)(=O)O)N

InChI

InChI=1S/C13H11FN4O9S3/c14-13-17-4-16-12(18-13)10-9-5(2-8(11(10)15)30(25,26)27)1-6(28(19,20)21)3-7(9)29(22,23)24/h1-3H,4,15H2,(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)