2,7-Naphthalenedisulfonic acid, 5-[(5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino]-4-hydroxy-3-[(2-sulfophenyl)azo]-, sodium salt

83400-17-3

CAS Name

2,7-Naphthalenedisulfonic acid, 5-[(5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino]-4-hydroxy-3-[2-(2-sulfophenyl)diazenyl]-, sodium salt (1:?)

Molecular Formula

C₂₁H₁₅ClFN₅O₁₀S₃.xNa

Other Names and Identifiers

InChI

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

SMILES

N(C=1C2=C(C=C(S(=O)(=O)O)C(N=NC3=C(S(=O)(=O)O)C=CC=C3)=C2O)C=C(S(=O)(=O)O)C1)C=4C(Cl)=C(C)N=C(F)N4.[Na]

Canonical SMILES

[Na].O=S(=O)(O)C1=CC=2C=C(C(N=NC=3C=CC=CC3S(=O)(=O)O)=C(O)C2C(=C1)NC4=NC(F)=NC(=C4Cl)C)S(=O)(=O)O

Other Names for this Substance