Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, compd. with 2,2′,2′′-nitrilotris[ethanol] (1:2)
CAS Registry Number®
67828-26-6
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]-, compd. with 2,2′,2′′-nitrilotris[ethanol] (1:2)Molecular Formula
C40H44N12O10S2.2C6H15NO3Cite this Page
Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, compd. with 2,2′,2′′-nitrilotris[ethanol] (1:2). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=67828-26-6 (retrieved ) (CAS RN: 67828-26-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C40H44N12O10S2.C6H15NO3/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;8-4-1-7(2-5-9)3-6-10/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);8-10H,1-6H2
InChIKey
InChIKey=MFXDNZWXNDEMIG-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(CCO)(CCO)CCO
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.OCCN(CCO)CCO
Other Names for this Substance
- Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, compd. with 2,2′,2′′-nitrilotris[ethanol] (1:2)
- Ethanol, 2,2′,2′′-nitrilotris-, 2,2′-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonate] (2:1) (salt)
