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

86422-60-8

CAS Name

Pyridinium, 1,1′-[1,4-phenylenebis[imino[6-[[8-hydroxy-3,6-disulfo-7-[2-(2-sulfophenyl)diazenyl]-1-naphthalenyl]amino]-1,3,5-triazine-4,2-diyl]]]bis[3-carboxy-, hydroxide, sodium salt (1:2:6)

Molecular Formula

C₅₆H₄₀N₁₆O₂₄S₆.2HO.6Na

Other Names and Identifiers

InChI

InChI=1S/C56H38N16O24S6.6Na.2H2O/c73-47-43-29(21-41(101(91,92)93)45(47)69-67-35-9-1-3-11-39(35)99(85,86)87)19-33(97(79,80)81)23-37(43)59-53-61-51(63-55(65-53)71-17-5-7-27(25-71)49(75)76)57-31-13-15-32(16-14-31)58-52-62-54(66-56(64-52)72-18-6-8-28(26-72)50(77)78)60-38-24-34(98(82,83)84)20-30-22-42(102(94,95)96)46(48(74)44(30)38)70-68-36-10-2-4-12-40(36)100(88,89)90;;;;;;;;/h1-26H,(H12-2,57,58,59,60,61,62,63,64,65,66,67,68,69,70,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92,93,94,95,96);;;;;;;2*1H2

InChIKey

InChIKey=ORPWMODJTKPDFV-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(N=C(NC5=CC=C(NC=6N=C(N=C(NC=7C8=C(C=C(S(=O)(=O)O)C(N=NC9=C(S(=O)(=O)O)C=CC=C9)=C8O)C=C(S(=O)(=O)O)C7)N6)[N+]=%10C=C(C(O)=O)C=CC%10)C=C5)N4)[N+]=%11C=C(C(O)=O)C=CC%11.[Na].[OH-]

Canonical SMILES

[Na].[OH-].O=C(O)C1=CC=C[N+](=C1)C=2N=C(N=C(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)NC6=CC=C(C=C6)NC=7N=C(N=C(N7)[N+]=8C=CC=C(C8)C(=O)O)NC9=CC(=CC=%10C=C(C(N=NC=%11C=CC=CC%11S(=O)(=O)O)=C(O)C%109)S(=O)(=O)O)S(=O)(=O)O

Other Names for this Substance