1,7-Naphthalenedisulfonic acid, 4-[(5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino]-5-hydroxy-6-[(2-sulfophenyl)azo]-, potassium sodium salt

83400-16-2

CAS Name

1,7-Naphthalenedisulfonic acid, 4-[(5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino]-5-hydroxy-6-[2-(2-sulfophenyl)diazenyl]-, potassium sodium salt (1:?:?)

Molecular Formula

C₂₁H₁₅ClFN₅O₁₀S₃.xK.xNa

Other Names and Identifiers

InChI

InChI=1S/C21H15ClFN5O10S3.K.Na/c1-9-17(22)20(26-21(23)24-9)25-12-6-7-13(39(30,31)32)10-8-15(41(36,37)38)18(19(29)16(10)12)28-27-11-4-2-3-5-14(11)40(33,34)35;;/h2-8,29H,1H3,(H,24,25,26)(H,30,31,32)(H,33,34,35)(H,36,37,38);;

InChIKey

InChIKey=GMEOQLWSMXBPBI-UHFFFAOYSA-N

SMILES

N(C=1C2=C(C(S(=O)(=O)O)=CC1)C=C(S(=O)(=O)O)C(N=NC3=C(S(=O)(=O)O)C=CC=C3)=C2O)C=4C(Cl)=C(C)N=C(F)N4.[K].[Na]

Canonical SMILES

[Na].[K].O=S(=O)(O)C=1C=CC=CC1N=NC2=C(O)C=3C(=CC=C(C3C=C2S(=O)(=O)O)S(=O)(=O)O)NC4=NC(F)=NC(=C4Cl)C

Other Names for this Substance