Ethanol, 2-[(2-aminoethyl)amino]-, 2,2′-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonate] (salt), ammonium salt

CAS Name

Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, ammonium salt, compd. with 2-[(2-aminoethyl)amino]ethanol

Molecular Formula

C₄₀H₄₄N₁₂O₁₀S₂.xC₄H₁₂N₂O.xH₃N

Other Names and Identifiers

InChI

InChI=1S/C40H44N12O10S2.C4H12N2O.H3N/c53-21-17-51(18-22-54)39-47-35(41-29-7-3-1-4-8-29)45-37(49-39)43-31-15-13-27(33(25-31)63(57,58)59)11-12-28-14-16-32(26-34(28)64(60,61)62)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52(19-23-55)20-24-56;5-1-2-6-3-4-7;/h1-16,25-26,53-56H,17-24H2,(H,57,58,59)(H,60,61,62)(H2,41,43,45,47,49)(H2,42,44,46,48,50);6-7H,1-5H2;1H3

InChIKey

InChIKey=BJCGQOMAZXNZIB-UHFFFAOYSA-N

SMILES

N(CCO)(CCO)C=1N=C(NC2=CC(S(=O)(=O)O)=C(C=CC3=C(S(=O)(=O)O)C=C(NC=4N=C(N(CCO)CCO)N=C(NC5=CC=CC=C5)N4)C=C3)C=C2)N=C(NC6=CC=CC=C6)N1.N(CCN)CCO.N

Canonical SMILES

O=S(=O)(O)C1=CC(=CC=C1C=CC2=CC=C(C=C2S(=O)(=O)O)NC3=NC(=NC(=N3)N(CCO)CCO)NC=4C=CC=CC4)NC5=NC(=NC(=N5)N(CCO)CCO)NC=6C=CC=CC6.OCCNCCN.N

Other Names for this Substance