Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-, disodium salt, reaction products with 2-aminoethanesulfonic acid monosodium salt and diethanolamine

82640-05-9

CAS Name

Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-, sodium salt (1:2), reaction products with diethanolamine and sodium 2-aminoethanesulfonate (1:1)

Molecular Formula

C₂₂H₁₈Cl₂N₈O₈S₂.C₄H₁₁NO₂.C₂H₇NO₃S.3Na

Molecular Mass

956.72

Other Names and Identifiers

InChI

InChI=1S/C22H18Cl2N8O8S2.C4H11NO2.C2H7NO3S.3Na/c1-39-21-29-17(23)27-19(31-21)25-13-7-5-11(15(9-13)41(33,34)35)3-4-12-6-8-14(10-16(12)42(36,37)38)26-20-28-18(24)30-22(32-20)40-2;6-3-1-5-2-4-7;3-1-2-7(4,5)6;;;/h3-10H,1-2H3,(H,33,34,35)(H,36,37,38)(H,25,27,29,31)(H,26,28,30,32);5-7H,1-4H2;1-3H2,(H,4,5,6);;;

InChIKey

InChIKey=AFDTTWTVCSOZFS-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

[Na].[Na].O=S(=O)(O)C1=CC(=CC=C1C=CC2=CC=C(C=C2S(=O)(=O)O)NC=3N=C(Cl)N=C(N3)OC)NC=4N=C(Cl)N=C(N4)OC.O=S(=O)(O)CCN.OCCNCCO

Other Names for this Substance