2,7-Naphthalenedisulfonic acid, 4,4′-[(6-chloro-1,3,5-triazine-2,4-diyl)diimino]bis[5-hydroxy-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, sodium salt

CAS Name

2,7-Naphthalenedisulfonic acid, 4,4′-[(6-chloro-1,3,5-triazine-2,4-diyl)diimino]bis[5-hydroxy-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, sodium salt

Molecular Formula

C₃₉H₃₂ClN₉O₂₆S₈.xNa

Other Names and Identifiers

InChI

InChI=1S/C39H32ClN9O26S8.Na/c40-37-43-38(41-27-17-25(78(56,57)58)13-19-15-29(80(62,63)64)33(35(50)31(19)27)48-46-21-1-5-23(6-2-21)76(52,53)11-9-74-82(68,69)70)45-39(44-37)42-28-18-26(79(59,60)61)14-20-16-30(81(65,66)67)34(36(51)32(20)28)49-47-22-3-7-24(8-4-22)77(54,55)12-10-75-83(71,72)73;/h1-8,13-18,50-51H,9-12H2,(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H2,41,42,43,44,45);

InChIKey

InChIKey=MGLYVPWIZSRPOG-UHFFFAOYSA-N

SMILES

N(C=1C2=C(C=C(S(=O)(=O)O)C(N=NC3=CC=C(S(CCOS(=O)(=O)O)(=O)=O)C=C3)=C2O)C=C(S(=O)(=O)O)C1)C=4N=C(NC=5C6=C(C=C(S(=O)(=O)O)C(N=NC7=CC=C(S(CCOS(=O)(=O)O)(=O)=O)C=C7)=C6O)C=C(S(=O)(=O)O)C5)N=C(Cl)N4.[Na]

Canonical SMILES

[Na].O=S(=O)(O)OCCS(=O)(=O)C1=CC=C(N=NC2=C(O)C3=C(C=C(C=C3NC4=NC(Cl)=NC(=N4)NC5=CC(=CC=6C=C(C(N=NC7=CC=C(C=C7)S(=O)(=O)CCOS(=O)(=O)O)=C(O)C65)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C=C2S(=O)(=O)O)C=C1

Other Names for this Substance