7-(6-fluoranyl-1H-1,2,3-triazin-2-yl)naphthalene-1,3,6-trisulfonic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(NN(N=C1)C2=C(C=C3C=C(C=C(C3=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)F

Isomeric SMILES

C1=C(NN(N=C1)C2=C(C=C3C=C(C=C(C3=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)F

InChI

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