Ethanol, 2,2′-iminobis-, 2,2′-(1,2-ethenediyl)bis[5-[[4-methoxy-6-[(2-sulfoethyl)amino]-1,3,5-triazin-2-yl]amino]benzenesulfonate] (salt), sodium salt

85154-07-0

CAS Name

Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-methoxy-6-[(2-sulfoethyl)amino]-1,3,5-triazin-2-yl]amino]-, sodium salt, compd. with 2,2′-iminobis[ethanol]

Molecular Formula

C₂₆H₃₀N₁₀O₁₄S₄.xC₄H₁₁NO₂.xNa

Other Names and Identifiers

InChI

InChI=1S/C26H30N10O14S4.C4H11NO2.Na/c1-49-25-33-21(27-9-11-51(37,38)39)31-23(35-25)29-17-7-5-15(19(13-17)53(43,44)45)3-4-16-6-8-18(14-20(16)54(46,47)48)30-24-32-22(34-26(36-24)50-2)28-10-12-52(40,41)42;6-3-1-5-2-4-7;/h3-8,13-14H,9-12H2,1-2H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,27,29,31,33,35)(H2,28,30,32,34,36);5-7H,1-4H2;

InChIKey

InChIKey=NIUSZZZSMLWMHY-UHFFFAOYSA-N

SMILES

C(=CC1=C(S(=O)(=O)O)C=C(NC=2N=C(NCCS(=O)(=O)O)N=C(OC)N2)C=C1)C3=C(S(=O)(=O)O)C=C(NC=4N=C(NCCS(=O)(=O)O)N=C(OC)N4)C=C3.N(CCO)CCO.[Na]

Canonical SMILES

[Na].O=S(=O)(O)C1=CC(=CC=C1C=CC2=CC=C(C=C2S(=O)(=O)O)NC3=NC(=NC(=N3)NCCS(=O)(=O)O)OC)NC4=NC(=NC(=N4)NCCS(=O)(=O)O)OC.OCCNCCO

Other Names for this Substance