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

83929-56-0

CAS Name

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

Molecular Formula

C₃₇H₃₁ClN₈O₁₀S₃.2Na

Other Names and Identifiers

InChI

InChI=1S/C37H31ClN8O10S3.2Na/c1-3-45(21-22-5-4-6-28(17-22)58(50,51)52)26-11-16-30-33(20-26)46(25-9-12-27(13-10-25)57(47,48)49)32-18-23(7-14-29(32)41-30)39-31-15-8-24(19-34(31)59(53,54)55)40-36-42-35(38)43-37(44-36)56-2;;/h4-20H,3,21H2,1-2H3,(H4,40,41,42,43,44,47,48,49,50,51,52,53,54,55);;

InChIKey

InChIKey=HZCWAKNKLYVPRR-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(OC)N=C(Cl)N6)C=C5)=C4)C7=CC=C(S(=O)(=O)[O-])C=C7.[Na]

Canonical SMILES

[Na].O=S(=O)([O-])C=1C=CC(=CC1)[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(N7)OC

Other Names for this Substance