Benzenesulfonic acid, 4,4′-[3-(2-pyridinyl)-1,2,4-triazine-5,6-diyl]bis-, monosodium salt, monohydrate
CAS Registry Number®
63451-29-6
CAS Name
Benzenesulfonic acid, 4,4′-[3-(2-pyridinyl)-1,2,4-triazine-5,6-diyl]bis-, monosodium salt, monohydrateMolecular Formula
C20H14N4O6S2.H2O.NaCite this Page
Benzenesulfonic acid, 4,4′-[3-(2-pyridinyl)-1,2,4-triazine-5,6-diyl]bis-, monosodium salt, monohydrate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=63451-29-6 (retrieved ) (CAS RN: 63451-29-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C20H14N4O6S2.Na.H2O/c25-31(26,27)15-8-4-13(5-9-15)18-19(14-6-10-16(11-7-14)32(28,29)30)23-24-20(22-18)17-3-1-2-12-21-17;;/h1-12H,(H,25,26,27)(H,28,29,30);;1H2
InChIKey
InChIKey=TXAJQBKMPKPCAD-UHFFFAOYSA-N
SMILES
S(=O)(=O)(O)C1=CC=C(C=2C(=NN=C(N2)C3=CC=CC=N3)C4=CC=C(S(=O)(=O)O)C=C4)C=C1.[Na].O
Canonical SMILES
[Na].O=S(=O)(O)C1=CC=C(C=C1)C=2N=NC(=NC2C=3C=CC(=CC3)S(=O)(=O)O)C=4N=CC=CC4.O
Other Names for this Substance
- Benzenesulfonic acid, 4,4′-[3-(2-pyridinyl)-1,2,4-triazine-5,6-diyl]bis-, monosodium salt, monohydrate