Benzenesulfonic acid, 4,4′-[3-(2-pyridinyl)-1,2,4-triazine-5,6-diyl]bis-, monosodium salt, monohydrate

CAS Registry Number®

63451-29-6
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CAS Name

Benzenesulfonic acid, 4,4′-[3-(2-pyridinyl)-1,2,4-triazine-5,6-diyl]bis-, monosodium salt, monohydrate

Molecular Formula

C20H14N4O6S2.H2O.Na

Cite 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/ChemicalDetail.aspx?ref=63451-29-6 (retrieved 2024-05-04) (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

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