Ethanol, 2,2′,2′′-nitrilotris-, 3,3′-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)azo]]bis[5-amino-4-hydroxy-2,7-naphthalenedisulfonate] (salt), potassium salt

85283-47-2

CAS Name

2,7-Naphthalenedisulfonic acid, 3,3′-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)azo]]bis[5-amino-4-hydroxy-, potassium salt, compd. with 2,2′,2′′-nitrilotris[ethanol]

Molecular Formula

C₃₄H₂₆N₆O₂₀S₆.xC₆H₁₅NO₃.xK

Other Names and Identifiers

InChI

InChI=1S/C34H26N6O20S6.C6H15NO3.K/c35-23-13-21(61(43,44)45)7-17-9-27(65(55,56)57)31(33(41)29(17)23)39-37-19-5-3-15(25(11-19)63(49,50)51)1-2-16-4-6-20(12-26(16)64(52,53)54)38-40-32-28(66(58,59)60)10-18-8-22(62(46,47)48)14-24(36)30(18)34(32)42;8-4-1-7(2-5-9)3-6-10;/h1-14,41-42H,35-36H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);8-10H,1-6H2;

InChIKey

InChIKey=PFOTXSUBSUMWIJ-UHFFFAOYSA-N

SMILES

OC=1C2=C(C=C(S(=O)(=O)O)C1N=NC3=CC(S(=O)(=O)O)=C(C=CC4=C(S(=O)(=O)O)C=C(N=NC=5C(S(=O)(=O)O)=CC6=C(C5O)C(N)=CC(S(=O)(=O)O)=C6)C=C4)C=C3)C=C(S(=O)(=O)O)C=C2N.N(CCO)(CCO)CCO.[K]

Canonical SMILES

[K].O=S(=O)(O)C1=CC(N)=C2C(O)=C(N=NC3=CC=C(C=CC4=CC=C(N=NC5=C(O)C6=C(N)C=C(C=C6C=C5S(=O)(=O)O)S(=O)(=O)O)C=C4S(=O)(=O)O)C(=C3)S(=O)(=O)O)C(=CC2=C1)S(=O)(=O)O.OCCN(CCO)CCO

Other Names for this Substance