2,7-Naphthalenedisulfonic acid, 5-[[4-[bis(2-hydroxyethyl)amino]-6-[[5-hydroxy-6-[(4-methoxy-2-sulfophenyl)azo]-7-sulfo-2-naphthalenyl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfophenyl)azo]-, pentasodium salt

82457-21-4

CAS Name

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

Molecular Formula

C₄₀H₃₆N₁₀O₂₀S₅.5Na

Molecular Mass

1252.05

Other Names and Identifiers

InChI

InChI=1S/C40H36N10O20S5.5Na/c1-70-23-7-9-27(30(18-23)73(61,62)63)47-48-34-31(74(64,65)66)16-20-14-22(6-8-25(20)36(34)53)41-38-43-39(45-40(44-38)50(10-12-51)11-13-52)42-28-19-24(71(55,56)57)15-21-17-32(75(67,68)69)35(37(54)33(21)28)49-46-26-4-2-3-5-29(26)72(58,59)60;;;;;/h2-9,14-19,51-54H,10-13H2,1H3,(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H2,41,42,43,44,45);;;;;

InChIKey

InChIKey=HAKASUSIWGKMJB-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(CCO)CCO)N=C(NC5=CC6=C(C=C5)C(O)=C(N=NC7=C(S(=O)(=O)O)C=C(OC)C=C7)C(S(=O)(=O)O)=C6)N4.[Na]

Canonical SMILES

[Na].O=S(=O)(O)C1=CC=2C=C(C(N=NC=3C=CC=CC3S(=O)(=O)O)=C(O)C2C(=C1)NC4=NC(=NC(=N4)N(CCO)CCO)NC=5C=CC6=C(O)C(N=NC7=CC=C(OC)C=C7S(=O)(=O)O)=C(C=C6C5)S(=O)(=O)O)S(=O)(=O)O

Other Names for this Substance