5,6-diphenyl-3-pyridin-2-yl-1,2,4-triazinane-3,5-disulfonic acid

Systemtic Name: 5,6-diphenyl-3-pyridin-2-yl-1,2,4-triazinane-3,5-disulfonic acid Openeye Name: 5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazinane-3,5-disulfonic acid CAS Name: 5,6-diphenyl-3-(2-pyridinyl)-1,2,4-triazinane-3,5-disulfonic acid IUPAC Name: 5,6-diphenyl-3-pyridin-2-yl-1,2,4-triazinane-3,5-disulfonic acid Traditional Name: 5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazinane-3,5-disulfonic acid Formula: C20H20N4O6S2 MolecularWeight: 476.526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(NC(NN2)(C3=CC=CC=N3)S(=O)(=O)O)(C4=CC=CC=C4)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2C(NC(NN2)(C3=CC=CC=N3)S(=O)(=O)O)(C4=CC=CC=C4)S(=O)(=O)O

InChI

InChI=1S/C20H20N4O6S2/c25-31(26,27)19(16-11-5-2-6-12-16)18(15-9-3-1-4-10-15)22-24-20(23-19,32(28,29)30)17-13-7-8-14-21-17/h1-14,18,22-24H,(H,25,26,27)(H,28,29,30)