Ethanol, 2,2′,2′′-nitrilotris-, 5-amino-3-[[4-[2-[4-[(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)azo]-2-sulfophenyl]ethenyl]-3-sulfophenyl]azo]-4-hydroxy-2,7-naphthalenedisulfonate (salt), potassium salt

85269-32-5

CAS Name

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

Molecular Formula

C₃₄H₂₆N₆O₁₇S₅.xC₆H₁₅NO₃.xK

Other Names and Identifiers

InChI

InChI=1S/C34H26N6O17S5.C6H15NO3.K/c35-20-6-3-18-10-28(61(52,53)54)31(33(41)24(18)12-20)39-37-21-7-4-16(26(13-21)59(46,47)48)1-2-17-5-8-22(14-27(17)60(49,50)51)38-40-32-29(62(55,56)57)11-19-9-23(58(43,44)45)15-25(36)30(19)34(32)42;8-4-1-7(2-5-9)3-6-10;/h1-15,41-42H,35-36H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57);8-10H,1-6H2;

InChIKey

InChIKey=QKAWHWLULAPAGH-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=C(N)C=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=NC=5C(O)=C6C=C(N)C=CC6=CC5S(=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