1,5-Naphthalenedisulfonic acid, 3,3′-[1,4-piperazinediylbis[(6-chloro-1,3,5-triazine-4,2-diyl)imino[2-(acetylamino)-4,1-phenylene]azo]]bis-, tetrasodium salt

81898-60-4

CAS Name

1,5-Naphthalenedisulfonic acid, 3,3′-[1,4-piperazinediylbis[(6-chloro-1,3,5-triazine-4,2-diyl)imino[2-(acetylamino)-4,1-phenylene]-2,1-diazenediyl]]bis-, sodium salt (1:4)

Molecular Formula

C₄₆H₃₈Cl₂N₁₆O₁₄S₄.4Na

Molecular Mass

1330.02

Other Names and Identifiers

InChI

InChI=1S/C46H38Cl2N16O14S4.4Na/c1-23(65)49-35-19-25(9-11-33(35)61-59-27-17-31-29(39(21-27)81(73,74)75)5-3-7-37(31)79(67,68)69)51-43-53-41(47)55-45(57-43)63-13-15-64(16-14-63)46-56-42(48)54-44(58-46)52-26-10-12-34(36(20-26)50-24(2)66)62-60-28-18-32-30(40(22-28)82(76,77)78)6-4-8-38(32)80(70,71)72;;;;/h3-12,17-22H,13-16H2,1-2H3,(H,49,65)(H,50,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,51,53,55,57)(H,52,54,56,58);;;;

InChIKey

InChIKey=VKQARXSUEICOCY-UHFFFAOYSA-N

SMILES

S(=O)(=O)(O)C=1C2=C(C(S(=O)(=O)O)=CC=C2)C=C(N=NC3=C(NC(C)=O)C=C(NC=4N=C(N=C(Cl)N4)N5CCN(CC5)C=6N=C(NC7=CC(NC(C)=O)=C(N=NC8=CC9=C(C(S(=O)(=O)O)=C8)C=CC=C9S(=O)(=O)O)C=C7)N=C(Cl)N6)C=C3)C1.[Na]

Canonical SMILES

[Na].O=C(NC1=CC(=CC=C1N=NC=2C=C3C(C=CC=C3S(=O)(=O)O)=C(C2)S(=O)(=O)O)NC4=NC(Cl)=NC(=N4)N5CCN(C=6N=C(Cl)N=C(N6)NC7=CC=C(N=NC=8C=C9C(C=CC=C9S(=O)(=O)O)=C(C8)S(=O)(=O)O)C(=C7)NC(=O)C)CC5)C

Other Names for this Substance