Phenazinium, 3-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]amino]-7-[ethyl[(3-sulfophenyl)methyl]amino]-5-(4-methoxy-3-sulfophenyl)-, inner salt, disodium salt

83929-55-9

CAS Name

Phenazinium, 3-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]amino]-7-[ethyl[(3-sulfophenyl)methyl]amino]-5-(4-methoxy-3-sulfophenyl)-, inner salt, sodium salt (1:2)

Molecular Formula

C₃₇H₃₀Cl₂N₈O₁₀S₃.2Na

Other Names and Identifiers

InChI

InChI=1S/C37H30Cl2N8O10S3.2Na/c1-3-46(20-21-5-4-6-26(15-21)58(48,49)50)24-9-13-28-31(18-24)47(25-10-14-32(57-2)34(19-25)60(54,55)56)30-16-22(7-11-27(30)42-28)40-29-12-8-23(17-33(29)59(51,52)53)41-37-44-35(38)43-36(39)45-37;;/h4-19H,3,20H2,1-2H3,(H4,41,42,43,44,45,48,49,50,51,52,53,54,55,56);;

InChIKey

InChIKey=IHQRZPLAICBBHP-UHFFFAOYSA-N

SMILES

N(CC1=CC(S(=O)(=O)O)=CC=C1)(CC)C2=CC=3[N+](=C4C(=NC3C=C2)C=CC(NC5=C(S(=O)(=O)O)C=C(NC=6N=C(Cl)N=C(Cl)N6)C=C5)=C4)C7=CC(S(=O)(=O)[O-])=C(OC)C=C7.[Na]

Canonical SMILES

[Na].O=S(=O)([O-])C=1C=C(C=CC1OC)[N+]=2C=3C=C(C=CC3N=C4C=CC(=CC42)N(CC5=CC=CC(=C5)S(=O)(=O)O)CC)NC6=CC=C(C=C6S(=O)(=O)O)NC=7N=C(Cl)N=C(Cl)N7

Other Names for this Substance