2,7-Naphthalenedisulfonic acid, 4-amino-3-[[4-(aminosulfonyl)phenyl]azo]-6-[[5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-sulfophenyl]azo]-5-hydroxy-, trisodium salt

CAS Name

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

Molecular Formula

C₂₆H₁₈ClF₂N₉O₁₂S₄.3Na

Molecular Mass

919.16

Other Names and Identifiers

InChI

InChI=1S/C26H18ClF2N9O12S4.3Na/c27-19-24(28)33-26(29)34-25(19)32-12-3-6-15(52(42,43)44)14(9-12)36-38-22-17(54(48,49)50)8-10-7-16(53(45,46)47)21(20(30)18(10)23(22)39)37-35-11-1-4-13(5-2-11)51(31,40)41;;;/h1-9,39H,30H2,(H2,31,40,41)(H,32,33,34)(H,42,43,44)(H,45,46,47)(H,48,49,50);;;

InChIKey

InChIKey=VOAWEDFHROWRJM-UHFFFAOYSA-N

Canonical SMILES

[Na].O=S(=O)(O)C1=CC=C(C=C1N=NC2=C(O)C=3C(C=C2S(=O)(=O)O)=CC(=C(N=NC4=CC=C(C=C4)S(=O)(=O)N)C3N)S(=O)(=O)O)NC=5N=C(F)N=C(F)C5Cl

Other Names for this Substance