2,7-Naphthalenedisulfonic acid, 4-amino-3,6-bis[[5-[[4-chloro-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]azo]-5-hydroxy-, tetrasodium salt

81959-23-1

CAS Name

2,7-Naphthalenedisulfonic acid, 4-amino-3,6-bis[2-[5-[[4-chloro-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-5-hydroxy-, sodium salt (1:4)

Molecular Formula

C₄₂H₃₃Cl₂N₁₅O₁₃S₄.4Na

Molecular Mass

1246.94

Other Names and Identifiers

InChI

InChI=1S/C42H33Cl2N15O13S4.4Na/c1-19-7-3-5-9-24(19)48-41-52-37(43)50-39(54-41)46-22-11-13-28(73(61,62)63)26(17-22)56-58-34-30(75(67,68)69)15-21-16-31(76(70,71)72)35(36(60)32(21)33(34)45)59-57-27-18-23(12-14-29(27)74(64,65)66)47-40-51-38(44)53-42(55-40)49-25-10-6-4-8-20(25)2;;;;/h3-18,60H,45H2,1-2H3,(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H2,46,48,50,52,54)(H2,47,49,51,53,55);;;;

InChIKey

InChIKey=QEAWQEKLHLLYCU-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(NC5=C(C)C=CC=C5)N=C(Cl)N4)=C3)=C2O)C=C(S(=O)(=O)O)C1N=NC6=C(S(=O)(=O)O)C=CC(NC=7N=C(NC8=C(C)C=CC=C8)N=C(Cl)N7)=C6.[Na]

Canonical SMILES

[Na].O=S(=O)(O)C1=CC=C(C=C1N=NC2=C(O)C=3C(C=C2S(=O)(=O)O)=CC(=C(N=NC4=CC(=CC=C4S(=O)(=O)O)NC5=NC(Cl)=NC(=N5)NC=6C=CC=CC6C)C3N)S(=O)(=O)O)NC7=NC(Cl)=NC(=N7)NC=8C=CC=CC8C

Other Names for this Substance