1,4-Benzenedisulfonic acid, 2-[[6-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-5-methyl-, trisodium salt

CAS Name

1,4-Benzenedisulfonic acid, 2-[2-[6-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-5-methyl-, sodium salt (1:3)

Molecular Formula

C₂₁H₁₄ClF₂N₅O₁₀S₃.3Na

Molecular Mass

734.98

Other Names and Identifiers

InChI

InChI=1S/C21H14ClF2N5O10S3.3Na/c1-8-4-14(41(34,35)36)12(7-13(8)40(31,32)33)28-29-17-15(42(37,38)39)6-9-5-10(2-3-11(9)18(17)30)25-20-16(22)19(23)26-21(24)27-20;;;/h2-7,30H,1H3,(H,25,26,27)(H,31,32,33)(H,34,35,36)(H,37,38,39);;;

InChIKey

InChIKey=HOELQSXXYCNTOF-UHFFFAOYSA-N

Canonical SMILES

[Na].O=S(=O)(O)C=1C=C(C(=CC1N=NC=2C(O)=C3C=CC(=CC3=CC2S(=O)(=O)O)NC=4N=C(F)N=C(F)C4Cl)S(=O)(=O)O)C

Other Names for this Substance