2,7-Naphthalenedisulfonic acid, 5-[[4-fluoro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfophenyl)azo]-, tetrasodium salt

879492-98-5

CAS Name

2,7-Naphthalenedisulfonic acid, 5-[[4-fluoro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-(2-sulfophenyl)diazenyl]-, sodium salt (1:4)

Molecular Formula

C₂₇H₂₂FN₇O₁₆S₅.4Na

Other Names and Identifiers

InChI

InChI=1S/C27H22FN7O16S5.4Na/c28-25-31-26(29-15-5-7-16(8-6-15)52(37,38)10-9-51-56(48,49)50)33-27(32-25)30-19-13-17(53(39,40)41)11-14-12-21(55(45,46)47)23(24(36)22(14)19)35-34-18-3-1-2-4-20(18)54(42,43)44;;;;/h1-8,11-13,36H,9-10H2,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,29,30,31,32,33);;;;

InChIKey

InChIKey=KJMQEPJFXCKGRC-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=4N=C(NC5=CC=C(S(CCOS(=O)(=O)O)(=O)=O)C=C5)N=C(F)N4.[Na]

Canonical SMILES

[Na].O=S(=O)(O)OCCS(=O)(=O)C1=CC=C(C=C1)NC2=NC(F)=NC(=N2)NC3=CC(=CC=4C=C(C(N=NC=5C=CC=CC5S(=O)(=O)O)=C(O)C43)S(=O)(=O)O)S(=O)(=O)O

Other Names for this Substance