Pyridinium, 1,1′-[(1-amino-8-hydroxy-3,6-disulfo-2,7-naphthalenediyl)bis[azo(4-sulfo-3,1-phenylene)imino[6-[(4-chloro-3-sulfophenyl)amino]-1,3,5-triazine-4,2-diyl]]]bis[3-carboxy-, dihydroxide, hexasodium salt

89797-03-5

CAS Name

Pyridinium, 1,1′-[(1-amino-8-hydroxy-3,6-disulfo-2,7-naphthalenediyl)bis[2,1-diazenediyl(4-sulfo-3,1-phenylene)imino[6-[(4-chloro-3-sulfophenyl)amino]-1,3,5-triazine-4,2-diyl]]]bis[3-carboxy-, hydroxide, sodium salt (1:2:6)

Molecular Formula

C₅₂H₃₇Cl₂N₁₇O₂₃S₆.2HO.6Na

Other Names and Identifiers

InChI

InChI=1S/C52H35Cl2N17O23S6.6Na.2H2O/c53-30-9-5-28(19-36(30)97(83,84)85)58-49-60-47(62-51(64-49)70-13-1-3-23(21-70)45(73)74)56-26-7-11-34(95(77,78)79)32(17-26)66-68-42-38(99(89,90)91)15-25-16-39(100(92,93)94)43(44(72)40(25)41(42)55)69-67-33-18-27(8-12-35(33)96(80,81)82)57-48-61-50(59-29-6-10-31(54)37(20-29)98(86,87)88)65-52(63-48)71-14-2-4-24(22-71)46(75)76;;;;;;;;/h1-22H,(H13-2,55,56,57,58,59,60,61,62,63,64,65,66,67,72,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92,93,94);;;;;;;2*1H2

InChIKey

InChIKey=QNHUTEGFNLTQPA-UHFFFAOYSA-N

SMILES

NC=1C2=C(C=C(S(=O)(=O)O)C(N=NC3=C(S(=O)(=O)O)C=CC(NC=4N=C(N=C(NC5=CC(S(=O)(=O)O)=C(Cl)C=C5)N4)[N+]=6C=C(C(O)=O)C=CC6)=C3)=C2O)C=C(S(=O)(=O)O)C1N=NC7=C(S(=O)(=O)O)C=CC(NC=8N=C(N=C(NC9=CC(S(=O)(=O)O)=C(Cl)C=C9)N8)[N+]=%10C=C(C(O)=O)C=CC%10)=C7.[Na].[OH-]

Canonical SMILES

[Na].[OH-].O=C(O)C1=CC=C[N+](=C1)C=2N=C(N=C(N2)NC3=CC=C(Cl)C(=C3)S(=O)(=O)O)NC4=CC=C(C(N=NC5=C(O)C=6C(C=C5S(=O)(=O)O)=CC(=C(N=NC7=CC(=CC=C7S(=O)(=O)O)NC=8N=C(N=C(N8)[N+]=9C=CC=C(C9)C(=O)O)NC%10=CC=C(Cl)C(=C%10)S(=O)(=O)O)C6N)S(=O)(=O)O)=C4)S(=O)(=O)O

Other Names for this Substance