5-phenyl-6-(4-sulfophenyl)-5H-1,2,4-triazine-4-sulfonic acid

Systemtic Name: 5-phenyl-6-(4-sulfophenyl)-5H-1,2,4-triazine-4-sulfonic acid Openeye Name: 5-phenyl-6-(4-sulfophenyl)-5H-1,2,4-triazine-4-sulfonic acid CAS Name: 5-phenyl-6-(4-sulfophenyl)-5H-1,2,4-triazine-4-sulfonic acid IUPAC Name: 5-phenyl-6-(4-sulfophenyl)-5H-1,2,4-triazine-4-sulfonic acid Traditional Name: 5-phenyl-6-(4-sulfophenyl)-5H-1,2,4-triazine-4-sulfonic acid Formula: C15H13N3O6S2 MolecularWeight: 395.41022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(=NN=CN2S(=O)(=O)O)C3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2C(=NN=CN2S(=O)(=O)O)C3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C15H13N3O6S2/c19-25(20,21)13-8-6-11(7-9-13)14-15(12-4-2-1-3-5-12)18(10-16-17-14)26(22,23)24/h1-10,15H,(H,19,20,21)(H,22,23,24)