CAS 28048-33-1 3-(2-Pyridyl)-5,6-bis(4-sulfophenyl)-1,2,4-triazine Disodium Salt Hydrate

Synonyms

4,4'-(3-(2-Pyridyl)-triazine-5,6-diyl)dibenzenesulfonic acid disodium salt; AC1L1QZU; 3-(2-pyridyl)-5,6-di(p-sulfophenyl)1,2,4-triazine disodium salt; SCHEMBL6703786; I14-57058; 4,4'-[3-(2-Pyridyl)-1,2,4-triazine-5,6-diyl]bis(benzenesulfonic Acid) Disodium Salt; Disodium 4,4'-[3-(2-Pyridyl)-1,2,4-triazine-5,6-diyl]bis(benzenesulfonate); Disodium 4,4'-(3-(pyridin-2-yl)-1,2,4-triazine-5,6-diyl)bis(benzenesulphonate); Ferrozin; FT-0613589;

IUPAC Name

disodium;4-[3-pyridin-2-yl-6-(4-sulfonatophenyl)-1,2,4-triazin-5-yl]benzenesulfonate;

Molecular Weight

514.438g/mol

Molecular Formula

C20H12N4Na2O6S2;

Canonical SMILES

C1=CC=NC(=C1)C2=NC(=C(N=N2)C3=CC=C(C=C3)S(=O)(=O)[O-])C4=CC=C(C=C4)S(=O)(=O)[O-].[Na+].[Na+];

InChI

InChI=1S/C20H14N4O6S2.2Na/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);;/q;2*+1/p-2;

InChI Key

DDIHLFCSEHAOJZ-UHFFFAOYSA-L;

Complexity

801

Covalently-Bonded Unit Count

EC Number

274-196-3

Exact Mass

513.999g/mol

H-Bond Acceptor

Heavy Atom Count

Monoisotopic Mass

513.999g/mol

Rotatable Bond Count

Topological Polar Surface Area

183A^2

UNII

29J2CIW9PK