2-Naphthalenesulfonic acid, 7-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-hydroxy-3-[(4-methoxy-2-sulfophenyl)azo]-, sodium salt

85391-83-9

CAS Name

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

Molecular Formula

C₂₁H₁₄ClF₂N₅O₈S₂.xNa

Other Names and Identifiers

InChI

InChI=1S/C21H14ClF2N5O8S2.Na/c1-37-11-3-5-13(14(8-11)38(31,32)33)28-29-17-15(39(34,35)36)7-9-6-10(2-4-12(9)18(17)30)25-20-16(22)19(23)26-21(24)27-20;/h2-8,30H,1H3,(H,25,26,27)(H,31,32,33)(H,34,35,36);

InChIKey

InChIKey=QBEBSEBWKWOUKP-UHFFFAOYSA-N

SMILES

OC=1C2=C(C=C(S(=O)(=O)O)C1N=NC3=C(S(=O)(=O)O)C=C(OC)C=C3)C=C(NC=4C(Cl)=C(F)N=C(F)N4)C=C2.[Na]

Canonical SMILES

[Na].O=S(=O)(O)C1=CC(OC)=CC=C1N=NC=2C(O)=C3C=CC(=CC3=CC2S(=O)(=O)O)NC=4N=C(F)N=C(F)C4Cl

Other Names for this Substance